SMILES
string | permeability
int64 | split
string | SMILES_ORIGINAL
string | IMAGE
image | SELFIES
string | InChIKey
string | IUPAC
string | template_original
string | template
string |
|---|---|---|---|---|---|---|---|---|---|
COc1ccc(CCn2c(N)cc(=O)[nH]c2=S)cc1OC
| 0
|
valid
|
COC1=C(C=C(C=C1)CCN2C(=CC(=O)NC2=S)N)OC
|
[C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=S][C][=C][Ring1][P][O][C]
|
BKQGOJCZGYSRSN-UHFFFAOYSA-N
|
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidenepyrimidin-4-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1ccc(CCn2c(N)cc(=O)[nH]c2=S)cc1OC is not permeable in the PAMPA assay.
|
|
O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(-n2cnnn2)c1
| 1
|
valid
|
C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)N4C=NN=N4
|
[O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O]
|
LBULVQIAQUOMQZ-UHFFFAOYSA-N
|
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-5-(tetrazol-1-yl)benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(-n2cnnn2)c1 is permeable in the PAMPA assay.
|
|
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1cncc(Br)c1
| 1
|
valid
|
C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br)C(=O)C4=CC=CC=C4F
|
[O][=C][Branch2][Ring2][Branch1][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
|
FGDNPQGECCKYLW-UHFFFAOYSA-N
|
5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1cncc(Br)c1 is permeable in the PAMPA assay.
|
|
COc1c2c(c3c(c1CCC(=O)O)OC(C)(C)C=C3)OC(C)(C)C=C2
| 1
|
valid
|
CC1(C=CC2=C3C(=C(C(=C2O1)CCC(=O)O)OC)C=CC(O3)(C)C)C
|
[C][O][C][=C][C][=Branch2][Ring1][O][=C][C][=Branch1][O][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1]
|
KSLHMLXPQDTMJX-UHFFFAOYSA-N
|
3-(5-methoxy-2,2,8,8-tetramethylpyrano[2,3-h]chromen-6-yl)propanoic acid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1c2c(c3c(c1CCC(=O)O)OC(C)(C)C=C3)OC(C)(C)C=C2 is permeable in the PAMPA assay.
|
|
CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1
| 1
|
valid
|
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C
|
[C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][=Branch1][=C][N][Ring1][Branch1][C][C][C@H1][Ring1][=N][N][Branch1][C][C][C][Ring2][Ring1][C]
|
KPJZHOPZRAFDTN-ZRGWGRIASA-N
|
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 is permeable in the PAMPA assay.
|
|
Cc1cccc(C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)c(C(=O)O)c2)c1
| 0
|
valid
|
CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)C(=O)O
|
[C][C][=C][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=C]
|
GGBULCWSVZOWBV-UHFFFAOYSA-N
|
5-[(3-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1cccc(C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)c(C(=O)O)c2)c1 is not permeable in the PAMPA assay.
|
|
CCCCNC(=O)CN1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)O)CC1
| 0
|
valid
|
CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=N2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O
|
[C][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][S][C][=N][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][=Branch2]
|
MUIOGIWOVPYBMA-UHFFFAOYSA-N
|
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylicacid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CCCCNC(=O)CN1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)O)CC1 is not permeable in the PAMPA assay.
|
|
CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1
| 0
|
valid
|
CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3
|
[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][#C][=C][Branch1][Ring2][C][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
|
XFCLJVABOIYOMF-UHFFFAOYSA-N
|
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1 is not permeable in the PAMPA assay.
|
|
Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1
| 1
|
valid
|
CC1=NC(=CN1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
|
[C][C][=N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
NMTBSNPBIGRZBL-UHFFFAOYSA-N
|
2-methyl-4-nitro-1-(4-nitrophenyl)imidazole
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1 is permeable in the PAMPA assay.
|
|
Nc1scc2c(C(=O)O)nn(-c3ccccc3)c(=O)c12
| 0
|
valid
|
C1=CC=C(C=C1)N2C(=O)C3=C(SC=C3C(=N2)C(=O)O)N
|
[N][C][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][Ring1][S]
|
XOQUOBZQPFFOSV-UHFFFAOYSA-N
|
5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylic acid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Nc1scc2c(C(=O)O)nn(-c3ccccc3)c(=O)c12 is not permeable in the PAMPA assay.
|
|
N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4C[C@@H]4F)c3c2Cl)CC12CC2
| 0
|
valid
|
C1CC12CN(C[C@@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5C[C@@H]5F)F
|
[N][C@H1][C][N][Branch2][Ring2][=Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][#Branch1][C][C][C@@H1][Ring1][Ring1][F][C][Ring1][=C][=C][Ring2][Ring1][Ring1][Cl][C][C][Ring2][Ring1][=Branch2][C][C][Ring1][Ring1]
|
PNUZDKCDAWUEGK-VLIRHVTKSA-N
|
7-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4C[C@@H]4F)c3c2Cl)CC12CC2 is not permeable in the PAMPA assay.
|
|
NC(=O)C1CCN(c2ncc(Br)cn2)CC1
| 1
|
valid
|
C1CN(CCC1C(=O)N)C2=NC=C(C=N2)Br
|
[N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][C][Ring1][=N]
|
IQEKFMHTHZFUKM-UHFFFAOYSA-N
|
1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES NC(=O)C1CCN(c2ncc(Br)cn2)CC1 is permeable in the PAMPA assay.
|
|
NC(=O)C1CCN(c2nccc(Cl)n2)CC1
| 1
|
valid
|
C1CN(CCC1C(=O)N)C2=NC=CC(=N2)Cl
|
[N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][C][Ring1][=N]
|
AZKYPLPPGRGGMZ-UHFFFAOYSA-N
|
1-(4-chloropyrimidin-2-yl)piperidine-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES NC(=O)C1CCN(c2nccc(Cl)n2)CC1 is permeable in the PAMPA assay.
|
|
NC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCCO4)s2)CC1
| 1
|
valid
|
C1COC2=C(C=C(C=C2)C3=NN=C(S3)N4CCC(CC4)C(=O)N)OC1
|
[N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][N][C][=N][N][=C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][S][Ring1][S][C][C][Ring2][Ring1][=Branch1]
|
SOEKKIGHJIUXSS-UHFFFAOYSA-N
|
1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES NC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCCO4)s2)CC1 is permeable in the PAMPA assay.
|
|
CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1
| 1
|
valid
|
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)C4
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
YVJHAYUOJJPNIV-UHFFFAOYSA-N
|
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 is permeable in the PAMPA assay.
|
|
CC1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)C(C)C6=O)c(O)cc(O)c3c(O)c2C(=O)C1C
| 0
|
valid
|
CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Branch1][#Branch1][C][=C][Ring1][=N][Ring1][#Branch1][O][C][Branch1][C][C][C][Branch1][C][C][C][Ring1][#Branch2][=O][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][N][C][Branch1][C][O][=C][Ring2][Ring1][P][C][=Branch1][C][=O][C][Ring2][Ring2][=Branch1][C]
|
RHNVLFNWDGWACV-UHFFFAOYSA-N
|
5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CC1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)C(C)C6=O)c(O)cc(O)c3c(O)c2C(=O)C1C is not permeable in the PAMPA assay.
|
|
CCOc1ccccc1C(=O)Nc1cccnc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
| 0
|
valid
|
CCOC1=CC=CC=C1C(=O)NC2=C(N=CC=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]
|
FRUFALLSBQQWOU-UHFFFAOYSA-N
|
3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CCOc1ccccc1C(=O)Nc1cccnc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1 is not permeable in the PAMPA assay.
|
|
Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3ccccc3n2)cc1C
| 1
|
valid
|
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C#N)C
|
[C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C]
|
AHQOLSSUVNLOGW-UHFFFAOYSA-N
|
N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3ccccc3n2)cc1C is permeable in the PAMPA assay.
|
|
O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1-n1cnnn1
| 0
|
valid
|
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3N4C=NN=N4
|
[O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1]
|
MGIOWOQFKXPPSA-UHFFFAOYSA-N
|
N-(4-phenyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1-n1cnnn1 is not permeable in the PAMPA assay.
|
|
CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1
| 0
|
valid
|
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
|
VAZAPHZUAVEOMC-UHFFFAOYSA-N
|
4-acetamido-N-(2-aminophenyl)benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1 is not permeable in the PAMPA assay.
|
|
COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O
| 1
|
valid
|
COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O][O]
|
OWHBVKBNNRYMIN-UHFFFAOYSA-N
|
N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O is permeable in the PAMPA assay.
|
|
COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc(N4CCNCC4)nc3)cc2)c1O
| 1
|
valid
|
COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=CN=C(C=C3)N4CCNCC4
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][C][N][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][=C][O]
|
LCRFPEKZQIVFKI-UHFFFAOYSA-N
|
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(6-piperazin-1-ylpyridin-3-yl)benzenesulfonamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc(N4CCNCC4)nc3)cc2)c1O is permeable in the PAMPA assay.
|
|
COc1cccc(CNc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1O
| 1
|
valid
|
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=C(C(=CC=C3)OC)O
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][S][=C][Ring2][Ring1][Branch2][O]
|
MAHHNZSNKYONTR-UHFFFAOYSA-N
|
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1cccc(CNc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1O is permeable in the PAMPA assay.
|
|
Cc1noc(C)c1S(=O)(=O)Nc1cnccc1C(=O)Nc1nc(-c2ccccc2)cs1
| 1
|
valid
|
CC1=C(C(=NO1)C)S(=O)(=O)NC2=C(C=CN=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O]
|
XLHAYAHOLZONMZ-UHFFFAOYSA-N
|
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1noc(C)c1S(=O)(=O)Nc1cnccc1C(=O)Nc1nc(-c2ccccc2)cs1 is permeable in the PAMPA assay.
|
|
O=C(Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1)c1ccc2ccccc2c1
| 0
|
valid
|
C1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4
|
[O][=C][Branch2][Ring2][#Branch1][N][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CUAFIJHHEZSGDU-UHFFFAOYSA-N
|
N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1)c1ccc2ccccc2c1 is not permeable in the PAMPA assay.
|
|
C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
| 1
|
valid
|
C[C@H](C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=C(C(=NC=N3)N)Cl
|
[C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][Cl][C][=N][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][Cl][C][=N][Ring1][O][S][Ring2][Ring1][Ring1]
|
VWMJHAFYPMOMGF-ZCFIWIBFSA-N
|
2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 is permeable in the PAMPA assay.
|
|
O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1
| 1
|
valid
|
C1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C(=O)N2C5=CC=C(C=C5)C(=O)O
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][S][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][#Branch2][=C][/C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][Ring1][=C][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
|
BBQRBOIMSKMFFO-LTGZKZEYSA-N
|
4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1 is permeable in the PAMPA assay.
|
|
CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
| 0
|
valid
|
CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC(=C3)CN4CCOCC4)NC(=O)C5=CNC(=O)C=C5C(F)(F)F
|
[C][N][C][C][N][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring2][#Branch1]
|
DJOVLOYCGXNVPI-UHFFFAOYSA-N
|
N-[2-(4-methylpiperazin-1-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1 is not permeable in the PAMPA assay.
|
|
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
| 1
|
valid
|
CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F
|
[C][C][C][S][C][=N][C][Branch2][Ring1][Branch1][N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][N][=N][N][Branch2][Ring1][C][C@@H1][C][C@H1][Branch1][Branch1][O][C][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Ring1][S][=N][Ring2][Ring1][S]
|
OEKWJQXRCDYSHL-FNOIDJSQSA-N
|
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 is permeable in the PAMPA assay.
|
|
Cn1cc(Nc2cnccc2C(=O)O)c2cccnc21
| 0
|
valid
|
CN1C=C(C2=C1N=CC=C2)NC3=C(C=CN=C3)C(=O)O
|
[C][N][C][=C][Branch1][#C][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
RBGNHCYGFBRIRO-UHFFFAOYSA-N
|
3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cn1cc(Nc2cnccc2C(=O)O)c2cccnc21 is not permeable in the PAMPA assay.
|
|
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3
| 1
|
valid
|
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][C][Ring1][Branch2][=C][Ring1][N][C@@H1][Branch1][C][N][C][C][Ring1][#Branch1]
|
ZVYVPGLRVWUPMP-FYSMJZIKSA-N
|
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3 is permeable in the PAMPA assay.
|
|
COc1ccc(-c2ccc3ncc(Nc4ccc(C(N)=O)cc4)n3n2)cc1OC
| 1
|
valid
|
COC1=C(C=C(C=C1)C2=NN3C(=NC=C3NC4=CC=C(C=C4)C(=O)N)C=C2)OC
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][C][=N][C][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][Ring1][#C][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O][C]
|
PPAKBXRFSYOERM-UHFFFAOYSA-N
|
4-[[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]amino]benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1ccc(-c2ccc3ncc(Nc4ccc(C(N)=O)cc4)n3n2)cc1OC is permeable in the PAMPA assay.
|
|
CNC(=O)c1cccc(-c2cnc(Nc3cccc(C(F)(F)F)c3)c3c2CCO3)c1
| 1
|
valid
|
CNC(=O)C1=CC=CC(=C1)C2=CN=C(C3=C2CCO3)NC4=CC=CC(=C4)C(F)(F)F
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch2]
|
MINZFYQXLFUKJR-UHFFFAOYSA-N
|
N-methyl-3-[7-[3-(trifluoromethyl)anilino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CNC(=O)c1cccc(-c2cnc(Nc3cccc(C(F)(F)F)c3)c3c2CCO3)c1 is permeable in the PAMPA assay.
|
|
O=C(NCCc1cnc[nH]1)c1ccc(-c2ncc3cnc(-c4cccc(F)c4)cn23)cc1
| 0
|
valid
|
C1=CC(=CC(=C1)F)C2=CN3C(=CN=C3C4=CC=C(C=C4)C(=O)NCCC5=CN=CN5)C=N2
|
[O][=C][Branch1][O][N][C][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][O][C][=N][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][N][Ring1][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch1]
|
QUBOHTQCPXQKTE-UHFFFAOYSA-N
|
4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(NCCc1cnc[nH]1)c1ccc(-c2ncc3cnc(-c4cccc(F)c4)cn23)cc1 is not permeable in the PAMPA assay.
|
|
COc1ccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)cc1OC
| 1
|
valid
|
CC1=CC2=C(N=C(C=C2N1CCN(C)C)C3=C(ON=C3C)C)C4=CC(=C(C=C4)OC)OC
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][C][=C][Ring1][=N][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][N][O][C]
|
WRFDPEGJJOPYQD-UHFFFAOYSA-N
|
2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1ccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)cc1OC is permeable in the PAMPA assay.
|
|
NC1CCN(C(=O)C2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1
| 1
|
valid
|
C1CC(CN(C1)C2=NC(=NC3=C2CCC3)C4=CC=CC=C4)C(=O)N5CCC(CC5)N
|
[N][C][C][C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][=N]
|
FECFLGLBRXVBBC-UHFFFAOYSA-N
|
(4-aminopiperidin-1-yl)-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES NC1CCN(C(=O)C2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 is permeable in the PAMPA assay.
|
|
Fc1ccc(N2CCCN(CC3[C@H]4CNC[C@@H]34)CC2)cc1
| 1
|
valid
|
C1CN(CCN(C1)C2=CC=C(C=C2)F)CC3[C@H]4[C@@H]3CNC4
|
[F][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][N][Branch1][N][C][C][C@H1][C][N][C][C@@H1][Ring1][=Branch1][Ring1][Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
ATVTVYLBDOOYQN-SJPCQFCGSA-N
|
(1R,5S)-6-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Fc1ccc(N2CCCN(CC3[C@H]4CNC[C@@H]34)CC2)cc1 is permeable in the PAMPA assay.
|
|
NC(=O)N1CCCC(C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1
| 1
|
valid
|
C1CC(CN(C1)C(=O)N)C(=O)N2CCCN(CC2)C3=CC=C(C=C3)F
|
[N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][Ring2][Ring1][=Branch1]
|
JHELPOCOEHHLSV-UHFFFAOYSA-N
|
3-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]piperidine-1-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES NC(=O)N1CCCC(C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 is permeable in the PAMPA assay.
|
|
NC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1
| 0
|
valid
|
C1C[C@@H](C[C@H]1NC2=NC=CC(=N2)C3=CC=NC=C3)NC(=O)CNC(=O)N
|
[N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][N][C][Ring2][Ring1][C]
|
LBIFWJBFUWPZLT-STQMWFEESA-N
|
2-(carbamoylamino)-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES NC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1 is not permeable in the PAMPA assay.
|
|
C[C@H]1CN(C(=O)Nc2ccc(F)cc2)C[C@@H]1c1nc(-c2ccccc2)no1
| 1
|
valid
|
C[C@H]1CN(C[C@@H]1C2=NC(=NO2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F
|
[C][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C@@H1][Ring1][#C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O]
|
YPAFKPHXNKBXRW-GUYCJALGSA-N
|
(3R,4R)-N-(4-fluorophenyl)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES C[C@H]1CN(C(=O)Nc2ccc(F)cc2)C[C@@H]1c1nc(-c2ccccc2)no1 is permeable in the PAMPA assay.
|
|
COc1ccc(-n2nc(C3CCCN(C(=O)c4ccccc4)C3)[nH]c2=O)cc1
| 0
|
valid
|
COC1=CC=C(C=C1)N2C(=O)NC(=N2)C3CCCN(C3)C(=O)C4=CC=CC=C4
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][N][=C][Branch2][Ring1][#Branch1][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][NH1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2]
|
FCBIXPLGXSOOBH-UHFFFAOYSA-N
|
5-(1-benzoylpiperidin-3-yl)-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1ccc(-n2nc(C3CCCN(C(=O)c4ccccc4)C3)[nH]c2=O)cc1 is not permeable in the PAMPA assay.
|
|
COc1ccc(-n2nc(C3CCN(C(=O)c4ccccc4)CC3)[nH]c2=O)cc1
| 1
|
valid
|
COC1=CC=C(C=C1)N2C(=O)NC(=N2)C3CCN(CC3)C(=O)C4=CC=CC=C4
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][N][=C][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][NH1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2]
|
LMQKYHJHYUACHL-UHFFFAOYSA-N
|
5-(1-benzoylpiperidin-4-yl)-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1ccc(-n2nc(C3CCN(C(=O)c4ccccc4)CC3)[nH]c2=O)cc1 is permeable in the PAMPA assay.
|
|
CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1)OCC
| 1
|
valid
|
CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C#N)OCC
|
[C][C][O][P][=Branch1][C][=O][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][#N][C][=C][Ring2][Ring1][C][O][C][C]
|
KPRTURMJVWXURQ-UHFFFAOYSA-N
|
N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1)OCC is permeable in the PAMPA assay.
|
|
O=C(c1ccccc1)N1CCC(C(=O)N2CCC(N3Cc4ccccc4C3=O)CC2)CC1
| 1
|
valid
|
C1CN(CCC1C(=O)N2CCC(CC2)N3CC4=CC=CC=C4C3=O)C(=O)C5=CC=CC=C5
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][C][Ring1][S][C][C][Ring2][Ring1][Branch2]
|
FRJHKZXKOVIIQT-UHFFFAOYSA-N
|
2-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-3H-isoindol-1-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(c1ccccc1)N1CCC(C(=O)N2CCC(N3Cc4ccccc4C3=O)CC2)CC1 is permeable in the PAMPA assay.
|
|
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(C(C)(C)C)c3)c2N1
| 1
|
valid
|
C[C@@H]1CC(=O)NC2=CC=CC(=C2N1)C3=CN(N=C3)C(C)(C)C
|
[C][C@@H1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][=C][Ring1][#C][N][Ring2][Ring1][Branch1]
|
HPSNXSAYALRMQW-LLVKDONJSA-N
|
(4R)-6-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cnn(C(C)(C)C)c3)c2N1 is permeable in the PAMPA assay.
|
|
O=C(O)c1ccnc2cc(-c3nc4ccccc4n3CCN3CCCCC3)sc12
| 0
|
valid
|
C1CCN(CC1)CCN2C3=CC=CC=C3N=C2C4=CC5=NC=CC(=C5S4)C(=O)O
|
[O][=C][Branch1][C][O][C][=C][C][=N][C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][C][C][C][C][Ring1][=Branch1][S][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=Branch1]
|
FUHPYFIFOFNOHS-UHFFFAOYSA-N
|
2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(O)c1ccnc2cc(-c3nc4ccccc4n3CCN3CCCCC3)sc12 is not permeable in the PAMPA assay.
|
|
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
| 1
|
valid
|
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
|
[C][O][C][=C][C][Branch2][Ring2][C][C@@H1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@H1][C][O][C][=Branch1][C][=O][C@H1][Ring1][#C][Ring1][=Branch1][O][C][O][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C]
|
YJGVMLPVUAXIQN-XVVDYKMHSA-N
|
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC is permeable in the PAMPA assay.
|
|
Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(C)C)CC3)c2n1
| 1
|
valid
|
CC1=CN2C(=C(C=C(C2=N1)C(=O)NCC3CCN(CC3)CC(C)C)Cl)N
|
[C][C][=C][N][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2]
|
ISKHMDNIWXPUGR-UHFFFAOYSA-N
|
5-amino-6-chloro-2-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(C)C)CC3)c2n1 is permeable in the PAMPA assay.
|
|
CCCCn1cnc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21
| 1
|
valid
|
CCCCN1C=NC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
|
[C][C][C][C][N][C][=N][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2]
|
XOLXCSSMJAOYOU-UHFFFAOYSA-N
|
N-(1-butylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CCCCn1cnc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 is permeable in the PAMPA assay.
|
|
COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC4
| 1
|
valid
|
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][=Branch2][C@@H1][Branch2][Ring2][=Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C@H1][Ring2][Ring1][#C][N][Branch1][C][C][C][C][Ring2][Ring2][Ring2][N][Branch1][C][C][C][C][Ring2][Ring1][N]
|
LFFQVHXIFJLJSP-VSGBNLITSA-N
|
(1R,14R)-20,25-dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC4 is permeable in the PAMPA assay.
|
|
COc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1
| 1
|
valid
|
COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N]
|
ZNJPXMPDCCKPAW-UHFFFAOYSA-N
|
3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 is permeable in the PAMPA assay.
|
|
CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F
| 1
|
valid
|
CC[C@](C)(C(=O)NCC(F)(F)F)NC1=NC(=NC=C1)C2=CNC3=C2C=CC=N3
|
[C][C][C@@][Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=C][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F]
|
ASUGUQWIHMTFJL-QGZVFWFLSA-N
|
(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F is permeable in the PAMPA assay.
|
|
COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
| 1
|
valid
|
COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C(=O)N4CCC5=C(C4)N=C6C=C(NN6C5=O)C7=CC=CC=C7
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring1][#Branch1][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][Ring1][O][C][Ring1][#C][=O][C][Ring2][Ring1][Ring2]
|
IWOCRPPBFUJHMY-UHFFFAOYSA-N
|
12-(7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-5-phenyl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1 is permeable in the PAMPA assay.
|
|
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C
| 1
|
valid
|
CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C
|
[C][C][C][C][C][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring1][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C]
|
ULNXAWLQFZMIHX-UHFFFAOYSA-N
|
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-propan-2-ylindazole-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C is permeable in the PAMPA assay.
|
|
COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C3CC12
| 1
|
valid
|
CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC
|
[C][O][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][C][C][C][N][C][C][C][=C][Branch2][Ring1][Ring2][NH1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=N][Ring1][#Branch2][C][Ring1][P][C][C][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch1]
|
FGWJRZQNNZVCHR-UHFFFAOYSA-N
|
methyl6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C3CC12 is permeable in the PAMPA assay.
|
|
Cc1cc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12
| 1
|
valid
|
CC1=CC(=NC2=CC=CC=C12)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
|
[C][C][=C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=S][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][=N][C][=C][C][=C][C][=C][Ring2][Ring1][=N][Ring1][=Branch1]
|
IHAALOSTTDBLBM-UHFFFAOYSA-N
|
N-(4-methylquinolin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1cc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12 is permeable in the PAMPA assay.
|
|
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
| 0
|
valid
|
C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(F)(F)F
|
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1]
|
VULKPKSAGRKXDW-UHFFFAOYSA-N
|
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1 is not permeable in the PAMPA assay.
|
|
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
| 1
|
valid
|
CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(C)C)C(C)C
|
[C][C][C][C][C][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][N][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch1][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C]
|
DPJNKUOXBZSZAI-UHFFFAOYSA-N
|
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]indazole-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C is permeable in the PAMPA assay.
|
|
Cc1cc2c(-c3cccc(O)c3)nc(-c3c(C)noc3C)cc2[nH]1
| 1
|
valid
|
CC1=CC2=C(N=C(C=C2N1)C3=C(ON=C3C)C)C4=CC(=CC=C4)O
|
[C][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][=C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1]
|
OPZWFHUZANUXIS-UHFFFAOYSA-N
|
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1cc2c(-c3cccc(O)c3)nc(-c3c(C)noc3C)cc2[nH]1 is permeable in the PAMPA assay.
|
|
Cc1ccnc(NC(=S)N2CCC(c3cccc(C(F)(F)F)c3)CC2)c1
| 1
|
valid
|
CC1=CC(=NC=C1)NC(=S)N2CCC(CC2)C3=CC(=CC=C3)C(F)(F)F
|
[C][C][=C][C][=N][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=S][N][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][=C][Ring2][Ring1][=Branch2]
|
BKTYFEQCNXQKLS-UHFFFAOYSA-N
|
N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1ccnc(NC(=S)N2CCC(c3cccc(C(F)(F)F)c3)CC2)c1 is permeable in the PAMPA assay.
|
|
COc1ccc(-n2nc(C3CCCN(C(=O)c4cccc(OC)c4)C3)[nH]c2=O)cc1
| 1
|
valid
|
COC1=CC=C(C=C1)N2C(=O)NC(=N2)C3CCCN(C3)C(=O)C4=CC(=CC=C4)OC
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][N][=C][Branch2][Ring1][O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][S][NH1][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N]
|
VWZOCNOPQRMCLP-UHFFFAOYSA-N
|
5-[1-(3-methoxybenzoyl)piperidin-3-yl]-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1ccc(-n2nc(C3CCCN(C(=O)c4cccc(OC)c4)C3)[nH]c2=O)cc1 is permeable in the PAMPA assay.
|
|
Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4cncn4)cc3)c3ccccc3n2)cc1C
| 0
|
valid
|
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)N5C=NC=N5)C
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C][C]
|
UPBHFSQEYBUDIF-UHFFFAOYSA-N
|
2-(3,4-dimethylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4cncn4)cc3)c3ccccc3n2)cc1C is not permeable in the PAMPA assay.
|
|
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1
| 1
|
valid
|
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
|
[C][C][Branch1][C][C][C][=N][C][Branch2][=Branch1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][N][=C][S][Ring1][Branch1][C][Branch1][C][C][C][=C][S][Ring2][Ring2][#C]
|
NCDNCNXCDXHOMX-XGKFQTDJSA-N
|
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 is permeable in the PAMPA assay.
|
|
Cc1cc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1
| 1
|
valid
|
CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=C(C=C3)Cl)Cl
|
[C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][=N][O][Ring2][Ring1][#Branch2]
|
UTTSAVIJOACRKO-UHFFFAOYSA-N
|
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1cc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1 is permeable in the PAMPA assay.
|
|
Cn1ccc2c(C(=O)NCC3CCC(=O)N3)nc(-c3ccccc3C#N)cc21
| 1
|
valid
|
CN1C=CC2=C(N=C(C=C21)C3=CC=CC=C3C#N)C(=O)NCC4CCC(=O)N4
|
[C][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O]
|
TXAZEEULTQBEJL-UHFFFAOYSA-N
|
6-(2-cyanophenyl)-1-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]pyrrolo[3,2-c]pyridine-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cn1ccc2c(C(=O)NCC3CCC(=O)N3)nc(-c3ccccc3C#N)cc21 is permeable in the PAMPA assay.
|
|
Cc1cnc(CNc2nc(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)cn1
| 1
|
valid
|
CC1=CN=C(C=N1)CNC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)NS(=O)(=O)C
|
[C][C][=C][N][=C][Branch2][Ring2][Branch2][C][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1][C][=N][Ring2][Ring1][=N]
|
FFIHPLFDTQQFOP-UHFFFAOYSA-N
|
N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1cnc(CNc2nc(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)cn1 is permeable in the PAMPA assay.
|
|
CCOc1ccc(CNc2ccc3c(c2)ncn3C)cc1
| 1
|
valid
|
CCOC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C]
|
IFJIDNKDMZHYLE-UHFFFAOYSA-N
|
N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-5-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CCOc1ccc(CNc2ccc3c(c2)ncn3C)cc1 is permeable in the PAMPA assay.
|
|
Fc1cnc(-c2ccccc2C(F)F)nc1NCc1ccc(-n2ccnn2)cc1
| 1
|
valid
|
C1=CC=C(C(=C1)C2=NC=C(C(=N2)NCC3=CC=C(C=C3)N4C=CN=N4)F)C(F)F
|
[F][C][=C][N][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F][N][=C][Ring1][#C][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O]
|
CTXYZISUYVNDGT-UHFFFAOYSA-N
|
2-[2-(difluoromethyl)phenyl]-5-fluoro-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Fc1cnc(-c2ccccc2C(F)F)nc1NCc1ccc(-n2ccnn2)cc1 is permeable in the PAMPA assay.
|
|
Cc1cnc(-c2ccccc2C(F)F)nc1NCc1ccc(-n2ccnn2)cc1
| 1
|
valid
|
CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(F)F
|
[C][C][=C][N][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F][N][=C][Ring1][#C][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O]
|
FTVAQPNJOHGXJS-UHFFFAOYSA-N
|
2-[2-(difluoromethyl)phenyl]-5-methyl-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1cnc(-c2ccccc2C(F)F)nc1NCc1ccc(-n2ccnn2)cc1 is permeable in the PAMPA assay.
|
|
COc1cccc(-c2noc(Nc3ccc4c(c3)OCCO4)n2)c1
| 1
|
valid
|
COC1=CC=CC(=C1)C2=NOC(=N2)NC3=CC4=C(C=C3)OCCO4
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring1][S][=C][Ring2][Ring1][=Branch1]
|
YVXUUEANAPUISD-UHFFFAOYSA-N
|
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1cccc(-c2noc(Nc3ccc4c(c3)OCCO4)n2)c1 is permeable in the PAMPA assay.
|
|
COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1
| 1
|
valid
|
COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1]
|
FUCWZIFGSAFUAO-UHFFFAOYSA-N
|
[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1 is permeable in the PAMPA assay.
|
|
Cc1cnc(CNc2nc(-c3ccccc3Cl)nc3ccccc23)cn1
| 1
|
valid
|
CC1=CN=C(C=N1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl
|
[C][C][=C][N][=C][Branch2][Ring1][N][C][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch2]
|
RLONSZYYDXSPDJ-UHFFFAOYSA-N
|
2-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1cnc(CNc2nc(-c3ccccc3Cl)nc3ccccc23)cn1 is permeable in the PAMPA assay.
|
|
Cc1sc(NC(=O)Cc2ccc3c(c2)OCO3)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F
| 0
|
valid
|
CC1=C(N=C(S1)NC(=O)CC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)N(CC5)C(=O)C6=CC=CC=C6F
|
[C][C][S][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=Ring2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
IQJUULSQCADXSP-UHFFFAOYSA-N
|
2-(1,3-benzodioxol-5-yl)-N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1sc(NC(=O)Cc2ccc3c(c2)OCO3)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F is not permeable in the PAMPA assay.
|
|
O=C(NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1
| 1
|
valid
|
C1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C4=CN=CC=C4
|
[O][=C][Branch2][Ring1][#C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][O][O][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
QDYVWPBPZWJQMG-UHFFFAOYSA-N
|
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1 is permeable in the PAMPA assay.
|
|
CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1
| 1
|
valid
|
CCCN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC(=C(C=C3)OC)OC
|
[C][C][C][N][C][N][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=S][N][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch2]
|
DNWDRRNPHSEMMW-UHFFFAOYSA-N
|
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1 is permeable in the PAMPA assay.
|
|
O=C1CCCC2=C1C1(CCS(=O)(=O)C1)N=C(Nc1nc3ccccc3o1)N2
| 1
|
valid
|
C1CC2=C(C(=O)C1)C3(CCS(=O)(=O)C3)N=C(N2)NC4=NC5=CC=CC=C5O4
|
[O][=C][C][C][C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][Ring2][Ring1][=Branch1]
|
WRFAPXCHZDSSEA-UHFFFAOYSA-N
|
2-(1,3-benzoxazol-2-ylamino)-1',1'-dioxospiro[1,6,7,8-tetrahydroquinazoline-4,3'-thiolane]-5-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of O=C1CCCC2=C1C1(CCS(=O)(=O)C1)N=C(Nc1nc3ccccc3o1)N2 is permeable in the PAMPA assay.
|
|
C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\C)CC[C@@H]12
| 1
|
valid
|
C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
|
[C][=C][C][=Branch1][C][=O][O][C@@H1][C@H1][O][C@][Ring1][Ring1][Branch1][C][C][C][C][/C][=C][Branch1][C][\C][C][C][C@@H1][Ring1][P][Ring1][=N]
|
KTEXNACQROZXEV-PVLRGYAZSA-N
|
(1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\C)CC[C@@H]12 is permeable in the PAMPA assay.
|
|
COc1cccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCCC4)c1
| 1
|
valid
|
COC1=CC=CC(=C1)NC(=O)C2=CC=CC3=C2NC4=C(C3=O)CCCC4
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][NH1][C][Ring1][O][=Ring1][#Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Branch2]
|
QNISVRIGWKSUCX-UHFFFAOYSA-N
|
N-(3-methoxyphenyl)-9-oxo-6,7,8,10-tetrahydro-5H-acridine-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1cccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCCC4)c1 is permeable in the PAMPA assay.
|
|
O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCCCC1
| 1
|
valid
|
C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N(C=N3)C4=CC=CC=C4
|
[O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1]
|
ZKQHDFBKGKZLLB-UHFFFAOYSA-N
|
(1-phenylbenzimidazol-5-yl)-piperidin-1-ylmethanone
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCCCC1 is permeable in the PAMPA assay.
|
|
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1
| 1
|
valid
|
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl
|
[C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
DLCOSWBDQGJKIQ-UHFFFAOYSA-N
|
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(4-methylphenyl)sulfonylamino]benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 is permeable in the PAMPA assay.
|
|
COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)nc3)cc2)c1O
| 1
|
valid
|
CC1=NC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=C(C(=CC=C3)OC)O
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][=C][Ring1][P][=C][Ring2][Ring1][=Branch2][O]
|
AYIYTTKZCABTEC-UHFFFAOYSA-N
|
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(6-methylpyridin-3-yl)benzenesulfonamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)nc3)cc2)c1O is permeable in the PAMPA assay.
|
|
COc1ccc(-c2cc(-c3cccc(NC(C)=O)c3)cn3cncc23)cn1
| 1
|
valid
|
CC(=O)NC1=CC=CC(=C1)C2=CN3C=NC=C3C(=C2)C4=CN=C(C=C4)OC
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][N][C][=N][C][=C][Ring2][Ring1][Ring1][Ring1][Branch1][C][=N][Ring2][Ring1][=Branch2]
|
ZEPFGXKZWPKGJP-UHFFFAOYSA-N
|
N-[3-[8-(6-methoxypyridin-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]acetamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1ccc(-c2cc(-c3cccc(NC(C)=O)c3)cn3cncc23)cn1 is permeable in the PAMPA assay.
|
|
COc1ccc2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1
| 1
|
valid
|
CC1=CC(=C2C=C(C=CC2=N1)OC)NC3=CC(=C(C=C3)Cl)Cl
|
[C][O][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
VGIBEFQNLZOXII-UHFFFAOYSA-N
|
N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of COc1ccc2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1 is permeable in the PAMPA assay.
|
|
Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc5c(c4)OCO5)sc3C)ccc21
| 1
|
valid
|
CC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=C(SC(=N4)NC(=O)CC5=CC6=C(C=C5)OCO6)C
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring2][C][C][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][C][=Ring2][Ring1][C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N]
|
LINHYWKZVCNAMQ-UHFFFAOYSA-N
|
2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc5c(c4)OCO5)sc3C)ccc21 is permeable in the PAMPA assay.
|
|
Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccnc1
| 1
|
valid
|
CC1=CC(=C(N1C2=CN=CC=C2)C)C3=NN=C4N3CCCCC4
|
[C][C][=C][C][Branch1][#C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
OTJJELSADUPOSR-UHFFFAOYSA-N
|
3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccnc1 is permeable in the PAMPA assay.
|
|
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3ccncc3)CC2)cc1
| 1
|
valid
|
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC=NC=C3
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1]
|
HPOJQGFTNQRBGF-UHFFFAOYSA-N
|
1-(4-tert-butylphenyl)sulfonyl-4-pyridin-4-ylpiperidine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3ccncc3)CC2)cc1 is permeable in the PAMPA assay.
|
|
Cc1ccc(S(=O)(=O)Nc2ncccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1
| 1
|
valid
|
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=N2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][=C]
|
JVTHONFBNOHMSP-UHFFFAOYSA-N
|
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1ccc(S(=O)(=O)Nc2ncccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 is permeable in the PAMPA assay.
|
|
Cc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)c3ccccc3n2)cc1C
| 1
|
valid
|
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=NC=CS5)C
|
[C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][#C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][C]
|
KXJLWSOMJZHKSV-UHFFFAOYSA-N
|
2-(3,4-dimethylphenyl)-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)c3ccccc3n2)cc1C is permeable in the PAMPA assay.
|
|
CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
| 1
|
valid
|
CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I
|
[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2]
|
CZCHIEJNWPNBDE-UHFFFAOYSA-N
|
(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1 is permeable in the PAMPA assay.
|
|
O=C1NCc2cc(-c3cc4c(ccn4Cc4ccncc4)c(N4CCOCC4)n3)ccc21
| 1
|
valid
|
C1COCCN1C2=C3C=CN(C3=CC(=N2)C4=CC5=C(C=C4)C(=O)NC5)CC6=CC=NC=C6
|
[O][=C][N][C][C][=C][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][#C][C][=C][N][Ring1][Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][#C]
|
LATRPOHRYUVJMB-UHFFFAOYSA-N
|
5-[4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of O=C1NCc2cc(-c3cc4c(ccn4Cc4ccncc4)c(N4CCOCC4)n3)ccc21 is permeable in the PAMPA assay.
|
|
c1ccc2[nH]c(Nc3nc(-c4ccncc4)nc4ccccc34)nc2c1
| 1
|
valid
|
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=NC5=CC=CC=C5N4
|
[C][=C][C][=C][NH1][C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
SKWQGIXLXXBXSP-UHFFFAOYSA-N
|
N-(1H-benzimidazol-2-yl)-2-pyridin-4-ylquinazolin-4-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES c1ccc2[nH]c(Nc3nc(-c4ccncc4)nc4ccccc34)nc2c1 is permeable in the PAMPA assay.
|
|
[2H]C([2H])(Nc1nc(-c2ccccc2C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ncc1C)c1ccc(-n2ccnn2)cc1
| 1
|
valid
|
[2H]C([2H])([2H])C([2H])(C1=CC=CC=C1C2=NC=C(C(=N2)NC([2H])([2H])C3=CC=C(C=C3)N4C=CN=N4)C)C([2H])([2H])[2H]
|
[2H][C][Branch1][C][2H][Branch2][Ring2][=N][N][C][=N][C][Branch2][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][2H][Branch1][=Branch2][C][Branch1][C][2H][Branch1][C][2H][2H][C][Branch1][C][2H][Branch1][C][2H][2H][=N][C][=C][Ring2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O]
|
VUIRVWPJNKZOSS-QCXUFLGQSA-N
|
N-[dideuterio-[4-(triazol-1-yl)phenyl]methyl]-2-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-5-methylpyrimidin-4-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of [2H]C([2H])(Nc1nc(-c2ccccc2C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ncc1C)c1ccc(-n2ccnn2)cc1 is permeable in the PAMPA assay.
|
|
COc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)ccc1O
| 1
|
valid
|
CC1=CC2=C(C=C1C)OC3=C(C2=O)C(N(C3=O)CCCN4CCOCC4)C5=CC(=C(C=C5)O)OC
|
[C][O][C][=C][C][Branch2][Ring2][N][C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][Ring1][N][=O][C][=Branch1][C][=O][N][Ring1][P][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][S][O]
|
PYGLCZBRZIGIOX-UHFFFAOYSA-N
|
1-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES COc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)ccc1O is permeable in the PAMPA assay.
|
|
Cc1c(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nc2ncccn12
| 1
|
valid
|
CC1=C(N=C2N1C=CC=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)F)F
|
[C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][P][N][=C][N][=C][C][=C][N][Ring2][Ring1][#Branch2][Ring1][=Branch1]
|
YOVZCQZBMAXLPR-UHFFFAOYSA-N
|
3,4-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1c(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nc2ncccn12 is permeable in the PAMPA assay.
|
|
CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccc(C(F)(F)F)c3)c(=O)n1C2
| 1
|
valid
|
CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)C3=CC=C(C(=O)N3C2)C4=CC(=CC=C4)C(F)(F)F
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][P][C][Ring2][Ring1][=Branch1]
|
XTVKDYSPQNBBME-GOEBONIOSA-N
|
(1R,9R)-6-oxo-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccc(C(F)(F)F)c3)c(=O)n1C2 is permeable in the PAMPA assay.
|
|
Cc1ccc2nc(-c3ccccn3)c(Nc3ccccc3C)n2c1
| 1
|
valid
|
CC1=CN2C(=NC(=C2NC3=CC=CC=C3C)C4=CC=CC=N4)C=C1
|
[C][C][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1]
|
RUKTTYRDMIRNMF-UHFFFAOYSA-N
|
6-methyl-N-(2-methylphenyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1ccc2nc(-c3ccccn3)c(Nc3ccccc3C)n2c1 is permeable in the PAMPA assay.
|
|
Cc1ccc(C)n1-c1cccc(C(=O)O)c1
| 1
|
valid
|
CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C
|
[C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
|
NJPUZFUOUGTNOV-UHFFFAOYSA-N
|
3-(2,5-dimethylpyrrol-1-yl)benzoicacid
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Cc1ccc(C)n1-c1cccc(C(=O)O)c1 is permeable in the PAMPA assay.
|
|
Cc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc1C
| 1
|
valid
|
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N)C
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][C]
|
QUBARLXZLWVPIJ-UHFFFAOYSA-N
|
2-(3,4-dimethylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES Cc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc1C is permeable in the PAMPA assay.
|
|
O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccs1
| 1
|
valid
|
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=NC=C3)NS(=O)(=O)C4=CC=CS4
|
[O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1]
|
NLYAGTVXVNHBBW-UHFFFAOYSA-N
|
N-(4-phenyl-1,3-thiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccs1 is permeable in the PAMPA assay.
|
|
Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O
| 1
|
valid
|
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C(=C3)Cl)O)N
|
[N][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][O]
|
ROCPTMBJHXPFIQ-UHFFFAOYSA-N
|
2-[(3-amino-5-chloro-4-hydroxyphenyl)methyl]isoindole-1,3-dione
|
The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {permeability#not &NULL}{permeability__names__adjective}.
|
The molecule with the SMILES representation of Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O is permeable in the PAMPA assay.
|
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