Drug_ID
string | Drug
string | Y
int64 |
|---|---|---|
4-[4-(3-Phenylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CCCc5ccccc5)CC4)ncnc13)CCCC2
| 1
|
4-(4-Phenylmethanesulfonylpiperazin-1-yl)-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(S(=O)(=O)Cc5ccccc5)CC4)ncnc13)CCCC2
| 1
|
4-[4-(2-Oxo-2-phenylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CC(=O)c5ccccc5)CC4)ncnc13)CCCC2
| 1
|
4-{4-[2-(2-Chlorophenyl)ethyl]piperazin-1-yl}-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CCc5ccccc5Cl)CC4)ncnc13)CCCC2
| 1
|
{4-[2-(3-Chlorophenyl)ethyl]piperazin-1-yl}-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CCc5cccc(Cl)c5)CC4)ncnc13)CCCC2
| 1
|
4-{4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl}-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CCc5ccc(Cl)cc5)CC4)ncnc13)CCCC2
| 1
|
4-{4-[2-(3-Nitrophenyl)ethyl]piperazin-1-yl}-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CCc5cccc([N+](=O)[O-])c5)CC4)ncnc13)CCCC2
| 1
|
2-Iodo-4-(4-phenethylpiperazin-1-yl)-5,6,7,8-tetrahydro-1,3,4b-triazofluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CCc5ccccc5)CC4)nc(I)nc13)CCCC2
| 1
|
4-(4-Phenethylpiperazin-1-yl)-5,6,7,8-tetrahydro-1,3,4b-triazofluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CCc5ccccc5)CC4)nc(-c4ccccc4)nc13)CCCC2
| 1
|
N-[4-[10-cyano-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-5-ium-1-id-2-yl]phenyl]acetamide
|
CC(=O)Nc1ccc(-c2nc(N3CCN(CCc4ccccc4)CC3)c3c(n2)c(C#N)c2n3CCCC2)cc1
| 1
|
4-(4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl)-2-pyridin-4-yl-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carbonitrile
|
N#Cc1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)nc(-c4ccncc4)nc13)CCCC2
| 1
|
4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-5-ium-1-ide-10-carbonitrile
|
Cc1ccccc1-c1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2c(n1)c(C#N)c1n2CCCC1
| 1
|
[4-(4-Phenethylpiperazin-1-yl)-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-yl]-phenylmethanone
|
O=C(c1ccccc1)c1c2n(c3c(N4CCN(CCc5ccccc5)CC4)ncnc13)CCCC2
| 1
|
4-(4-Phenethylpiperazin-1-yl)-5,6,7,8-tetrahydro-1,3,4b-triazofluorene-9-carboxylic Acid Methyl Ester
|
COC(=O)c1c2n(c3c(N4CCN(CCc5ccccc5)CC4)ncnc13)CCCC2
| 1
|
9-(4,5-Dimethylthyazol-2-yl)-4-(4-phenethylpiperazin-1-yl)-5,6,7,8-tetrahydro-1,3,4b-triazofluorene
|
Cc1nc(-c2c3n(c4c(N5CCN(CCc6ccccc6)CC5)ncnc24)CCCC3)sc1C
| 1
|
4-{4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl}-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carboxylic Acid Ethylamide
|
CCNC(=O)c1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc13)CCCC2
| 1
|
4-{4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl}-5,6,7,8-tetrahydro-1,3,4b-triazafluorene-9-carboxylic Acid (Pyridin-2-ylmethyl)amide
|
O=C(NCc1ccccn1)c1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc13)CCCC2
| 1
|
(1R)-1-[2-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]-3-phenylpropan-1-ol
|
O[C@H](COc1ccccc1[C@H](O)CCc1ccccc1)CN1CCOCC1
| 1
|
(2R)-1-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
|
CO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1
| 1
|
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-[(1S)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol
|
CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1
| 1
|
(2S)-1-[di(propan-2-yl)amino]-3-[2-[(1S)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol
|
CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)CN(C(C)C)C(C)C
| 1
|
1-[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
|
O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@@H](O)CN1CCCCC1
| 1
|
1-[2-[(2S)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
|
CC(C)N(C[C@@H](O)COc1ccccc1C(=O)CCc1cccc2ccccc12)C(C)C
| 1
|
1-[2-[(2S)-2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
|
O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@@H](O)CN1CCC(O)(c2ccccc2)CC1
| 1
|
1-[2-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
|
CCC(=O)c1ccccc1OC[C@H](O)CN1CCOCC1
| 0
|
[2-[(2S)-2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]-phenylmethanone
|
O=C(c1ccccc1)c1ccccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1
| 1
|
1-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]-3-phenylpropan-1-one
|
O=C(CCc1ccccc1)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1
| 1
|
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]-3-phenylpropan-1-one
|
O=C(CCc1ccccc1)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1
| 1
|
1-[5-hydroxy-2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
|
CCCNC[C@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1
| 1
|
1-[2-[(2R)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]-5-hydroxyphenyl]-3-phenylpropan-1-one
|
O=C(CCc1ccccc1)c1cc(O)ccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1
| 1
|
1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
|
CCCNC[C@H](O)COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1
| 1
|
1-[4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
|
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1
| 1
|
1-[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]ethanone
|
CC(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1
| 0
|
1-[3-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
|
CC(=O)c1cccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)c1
| 1
|
1-[2-[(2S)-2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]-3-phenylpropan-1-one
|
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1
| 1
|
(1R)-1-[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]-3-phenylpropan-1-ol
|
O[C@H](COc1ccccc1[C@H](O)CCc1ccccc1)CN1CCCCC1
| 1
|
1-[2-[(2S)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
|
CCN(CC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1
| 1
|
(1S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-phenethyl-1-benzofuran-2-yl)ethanol
|
COc1ccccc1N1CCN(C[C@H](O)c2oc3ccccc3c2CCc2ccccc2)CC1
| 1
|
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-phenethyl-1-benzofuran-2-yl)ethanone
|
COc1ccccc1N1CCN(CC(=O)c2oc3ccccc3c2CCc2ccccc2)CC1
| 1
|
1-[2-[(2S)-3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
|
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNC1CCCCC1
| 1
|
1-[2-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one
|
COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2C(=O)CCc2ccccc2)CC1
| 1
|
1-[2-[(2S)-3-anilino-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
|
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNc1ccccc1
| 1
|
methyl4-[[(2R)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]amino]benzoate
|
COC(=O)c1ccc(NC[C@H](O)COc2ccccc2C(=O)CCc2ccccc2)cc1
| 1
|
1-[2-[(2S)-3-(2,2-diphenylethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
|
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNCC(c1ccccc1)c1ccccc1
| 1
|
4-benzoyl-1-[(2R)-3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5-methyl-2-phenylpyrazole-1,2-diium-3-one
|
Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)CN(C(C)C)C(C)C
| 1
|
4-benzoyl-1-[(2S)-3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-2-phenylpyrazole-1,2-diium-3-one
|
Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@@H](O)CNC(C)(C)C
| 0
|
4-benzoyl-1-[(2S)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-2-phenylpyrazole-1,2-diium-3-one
|
Cc1ccccc1N1CCN(C[C@H](O)Cn2c(C)c(C(=O)c3ccccc3)c(=O)n2-c2ccccc2)CC1
| 1
|
1-[(2S)-2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazole-1,2-diium-3-one
|
Cc1c(C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C[C@@H](O)CNC(C)C
| 0
|
1-[(2S)-2-hydroxy-3-(propylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazole-1,2-diium-3-one
|
CCCNC[C@H](O)Cn1c(C)c(C(=O)CCc2ccccc2)c(=O)n1-c1ccccc1
| 1
|
1-[(2R)-3-(butylamino)-2-hydroxypropyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazole-1,2-diium-3-one
|
CCCCNC[C@@H](O)Cn1c(C)c(C(=O)CCc2ccccc2)c(=O)n1-c1ccccc1
| 1
|
1-[(2S)-3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazole-1,2-diium-3-one
|
Cc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C[C@@H](O)CNC(C)(C)C
| 1
|
1-[(2S)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazole-1,2-diium-3-one
|
Cc1ccccc1N1CCN(C[C@H](O)Cn2c(C)c(C(=O)CCc3ccccc3)c(=O)n2-c2ccccc2)CC1
| 1
|
[5-[(2S)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-1,3-dimethylpyrazol-1-ium-4-id-4-yl]-phenylmethanone
|
Cc1nn(C)c(OC[C@@H](O)CN(C(C)C)C(C)C)c1C(=O)c1ccccc1
| 1
|
[5-[(2S)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-1-ium-4-id-4-yl]-phenylmethanone
|
Cc1nn(-c2ccccc2)c(OC[C@@H](O)CN(C(C)C)C(C)C)c1C(=O)c1ccccc1
| 1
|
4-benzoyl-1-[(2S)-2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenylpyrazole-1,2-diium-3-one
|
Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@@H](O)CNC(C)C
| 0
|
(3R,4S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
|
CC1(C)Oc2ccc(C#N)cc2[C@H](N2CCN(Cc3ccccc3)CC2)[C@H]1O
| 1
|
[(2S,3S,4S)-4-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-2-methyl-1,2,3,4-tetrahydroquinolin-3-yl]4-methylbenzoate
|
CCN(CC)CCC[C@H](C)N[C@H]1c2ccccc2N[C@@H](C)[C@@H]1OC(=O)c1ccc(C)cc1
| 1
|
1-phenethyl-2-phenylmethoxybenzene
|
c1ccc(CCc2ccccc2OCc2ccccc2)cc1
| 0
|
1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
|
COc1ccc(COc2ccccc2CCc2cccc(OC)c2)cc1
| 1
|
1,2-dimethoxy-3-[(2-phenethylphenoxy)methyl]benzene
|
COc1cccc(COc2ccccc2CCc2ccccc2)c1OC
| 1
|
1,2-dimethoxy-4-[(2-phenethylphenoxy)methyl]benzene
|
COc1ccc(COc2ccccc2CCc2ccccc2)cc1OC
| 1
|
1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
|
COc1cccc(CCc2ccccc2OCc2ccc(OC)c(OC)c2)c1
| 1
|
1,3-dimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
|
COc1cccc(CCc2ccccc2OCc2cc(OC)cc(OC)c2)c1
| 1
|
4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine
|
COc1cccc(CCc2ccccc2OCc2ccncc2)c1
| 1
|
2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline
|
COc1cccc(CCc2ccccc2NCc2cccc(OC)c2)c1
| 1
|
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
|
COc1cccc(CCc2ccccc2NCc2cccc(OC)c2OC)c1
| 1
|
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
|
COc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1
| 1
|
N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
|
COc1cccc(CCc2ccccc2NCc2cc(OC)cc(OC)c2)c1
| 1
|
2-[(2-phenethylphenoxy)methyl]pyridine
|
c1ccc(CCc2ccccc2OCc2ccccn2)cc1
| 0
|
3-[(2-phenethylphenoxy)methyl]pyridine
|
c1ccc(CCc2ccccc2OCc2cccnc2)cc1
| 0
|
(2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-(methoxymethoxy)-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
| 1
|
(2S,5R,6R,11S)-5-benzyl-6-(methoxymethoxy)-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
COCO[C@@H]1CC(=O)OC[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H]1Cc1ccccc1
| 1
|
(2S,5R,10R,11S)-5-benzyl-10-heptyl-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@H]1OC(=O)CC[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
| 1
|
(2S,5S,6S,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
| 1
|
(5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-2,2,4,11-tetramethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
| 1
|
(5S,6R,10R,11S)-5-benzyl-10-heptyl-6-(methoxymethoxy)-2,2,4,11-tetramethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
| 1
|
(2S,5S,6R,10R,11S)-5-benzyl-6-hydroxy-4,10,11-trimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
| 1
|
(5S,6R,10R,11S)-5-benzyl-10-butyl-6-(methoxymethoxy)-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
| 1
|
(2S,5S,6R,10S,11R)-5-benzyl-10-heptyl-6-hydroxy-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H]1C
| 1
|
(2S,5S,6R,10S,11R)-5-benzyl-10-heptyl-6-(methoxymethoxy)-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H]1C
| 1
|
(5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
| 1
|
(5S,6R,10R,11S)-5-benzyl-10-heptyl-6-(methoxymethoxy)-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
| 1
|
(2S,5S,6R,10R)-5-benzyl-10-heptyl-6-hydroxy-4-methyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](O)CC(=O)O1
| 1
|
(2S,5S,6R,10R)-5-benzyl-10-heptyl-6-(methoxymethoxy)-4-methyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](OCOC)CC(=O)O1
| 1
|
(5S,6R,10R,11S)-5-benzyl-10-butyl-6-hydroxy-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
|
CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
| 1
|
4-methoxy-10-(4-piperidin-1-ylbutyl)acridin-10-ium-9-one
|
COc1cccc2c(=O)c3ccccc3n(CCCCN3CCCCC3)c12
| 1
|
4-methoxy-10-(4-morpholin-4-ylbutyl)acridin-10-ium-9-one
|
COc1cccc2c(=O)c3ccccc3n(CCCCN3CCOCC3)c12
| 1
|
10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-10-ium-9-one
|
O=c1c2ccccc2n(CCCCN(CCO)CCO)c2ccccc12
| 1
|
10-[4-[bis(2-hydroxyethyl)amino]butyl]-4-methoxyacridin-10-ium-9-one
|
COc1cccc2c(=O)c3ccccc3n(CCCCN(CCO)CCO)c12
| 1
|
10-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]acridin-10-ium-9-one
|
O=c1c2ccccc2n(CCCCN2CCN(CCO)CC2)c2ccccc12
| 1
|
10-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]-4-methoxyacridin-10-ium-9-one
|
COc1cccc2c(=O)c3ccccc3n(CCCCN3CCN(CCO)CC3)c12
| 1
|
4-methoxyacridin-10-ium-9-one
|
COc1cccc2c(=O)c3ccccc3[nH]c12
| 1
|
10-(3-chloropropyl)acridin-10-ium-9-one
|
O=c1c2ccccc2n(CCCCl)c2ccccc12
| 1
|
10-(3-chloropropyl)-4-methoxyacridin-10-ium-9-one
|
COc1cccc2c(=O)c3ccccc3n(CCCCl)c12
| 1
|
10-[3-(4-methylpiperazin-1-yl)propyl]acridin-10-ium-9-one
|
CN1CCN(CCCn2c3ccccc3c(=O)c3ccccc32)CC1
| 1
|
4-methoxy-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-10-ium-9-one
|
COc1cccc2c(=O)c3ccccc3n(CCCN3CCN(C)CC3)c12
| 1
|
10-(3-piperidin-1-ylpropyl)acridin-10-ium-9-one
|
O=c1c2ccccc2n(CCCN2CCCCC2)c2ccccc12
| 1
|
4-methoxy-10-(3-piperidin-1-ylpropyl)acridin-10-ium-9-one
|
COc1cccc2c(=O)c3ccccc3n(CCCN3CCCCC3)c12
| 1
|
10-(3-morpholin-4-ylpropyl)acridin-10-ium-9-one
|
O=c1c2ccccc2n(CCCN2CCOCC2)c2ccccc12
| 1
|
10-[3-[bis(2-hydroxyethyl)amino]propyl]acridin-10-ium-9-one
|
O=c1c2ccccc2n(CCCN(CCO)CCO)c2ccccc12
| 1
|
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