FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK852068
Synonyms: (2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK594147
Synonyms: 4-[4-(propan-2-yl)phenyl]-3,4,5,6-tetrahydrobenzo[h]quinazoline-2-thiol
Smiles: SC1=NC2=C(C(N1)c1ccc(cc1)C(C)C)CCc1c2cccc1

STK594148
Synonyms: (5Z)-5-[4-(diethylamino)benzylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCN(c1ccc(cc1)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N)CC

STK594150
Synonyms: N-(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)propane-1,3-diamine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3NCCCN

STK594167
Synonyms: 9-methoxy-6-[4-(3-methylbutoxy)benzyl]-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(cc1)OCCC(C)C

STK594169
Synonyms: N-(heptan-2-ylcarbamoyl)-D-methionine
Smiles: CCCCCC(NC(=O)N[C@@H](C(=O)O)CCSC)C

STK594170
Synonyms: 4-(4-benzylpiperazin-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)Cc2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C

STK594172
Synonyms: 7-(3,4-dimethylphenyl)-3-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1C)n1ncc2c1ncn1c2nnc1CCc1ccccc1

STK852072
Synonyms: 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nn2c(n1)nc(cc2O)CSc1nc2c(s1)cccc2

STK594185
Synonyms: 4-{[(E)-(4-methoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK852073
Synonyms: 2-{[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CCc1n[nH]/c(=N/C(=O)CSc2nnnn2c2ccc(c(c2)Cl)C)/s1

STK852074
Synonyms: 3-(2-ethoxyphenoxy)-7-[(4-fluorobenzyl)oxy]-4H-chromen-4-one
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)F

STK594186
Synonyms: 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
Smiles: CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCc2c(C1)cc(c(c2)OC)OC)CC

STK594193
Synonyms: 5-[(2,6-dichlorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
Smiles: COc1cc(ccc1OC)c1c(C)noc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl

STK594194
Synonyms: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc(cc1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK594196
Synonyms: N-[2-(7-methoxy-6-{(E)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}-1,3-benzodioxol-5-yl)ethyl]-N-methylacetamide
Smiles: COc1c(/C=N/NC(=O)c2ccncc2)c(CCN(C(=O)C)C)cc2c1OCO2

STK594198
Synonyms: 6-amino-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxypyrimidin-4(1H)-one
Smiles: Clc1ccc2c(c1)c(c[nH]2)CCn1c(N)cc(=O)nc1O

STK594199
Synonyms: N-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]phenyl}carbonyl)-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)c1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C

STK594200
Synonyms: ethyl3-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)C)F)cc(cc2)OC

STK594202
Synonyms: 7-hydroxy-5-(4-methoxyphenyl)-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)C1CC(=Nc2c1c(=O)nc(n2C)SC)O

STK852076
Synonyms: N-(2,4-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STK594203
Synonyms: (3a'S,6a'R)-5'-cyclohexyl-5-fluoro-3'-(1H-indol-3-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCCC1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK594205
Synonyms: N'-{(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CC=C)O)/CC

STK594210
Synonyms: 12-(2-methoxyphenyl)-2-methyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c1nc(nn1cn2)C)O

STK594212
Synonyms: {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}aceticacid
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)O)C

STK594213
Synonyms: 8-amino-2-(ethylamino)-5-hydroxy-6-(pyridin-3-yl)-6H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridine-7-carbonitrile
Smiles: CCNc1nc2c(s1)c1OC(=C(C(c1c(n2)O)c1cccnc1)C#N)N

STK594214
Synonyms: 2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(cc1)C)c1ccc(cc1)Br

STK594216
Synonyms: 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Smiles: CCC(=O)N1C(c2ccc(c(c2)OC)OC)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

STK594221
Synonyms: N-(2-chlorophenyl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccccc1Cl)O

STK852077
Synonyms: N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: O=C(c1ccco1)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK852078
Synonyms: 6-chloro-N-(2-oxido-2,3-dihydro-1,4,2-benzodioxaphosphinin-2-yl)-1,3-benzothiazol-2-amine
Smiles: Clc1ccc2c(c1)sc(n2)NP1(=O)COc2c(O1)cccc2

STK852079
Synonyms: 3-(4-methoxyphenyl)-8-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)C)c1ccc(cc1)OC

STK594223
Synonyms: 1-{1-[6-(dimethylamino)-2-phenylpyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: CN(c1nc(nc(c1)n1ncc(c1C)C(=O)C)c1ccccc1)C

STK594224
Synonyms: 7-chloro-1-(3-hydroxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK594232
Synonyms: 11-(furan-2-yl)-10-methyl-2-(4-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1

STK594233
Synonyms: 2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1ccc2c(c1)oc(=O)c(c2C)C

STK594238
Synonyms: 2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
Smiles: Oc1nc(NCc2ccccc2)nc2c1CCC2

STK594242
Synonyms: (10aS)-2-(naphthalen-1-yl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: O=C1N2Cc3ccccc3C[C@H]2C(=O)N1c1cccc2c1cccc2

STK594243
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(2-fluorophenyl)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccccc3F)/NCCc2cc1OC

STK594246
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1cc(nn1c1nc2c([nH]1)cccc2)C

STK594248
Synonyms: (5Z)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: O=C1N=C(/C(=C/c2cc(n(c2C)c2ccncc2)C)/S1)O

STL036557
Synonyms: 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccc(o1)C

STK594255
Synonyms: 8-ethyl-N-(2-methoxyethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: COCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)CC

STK852084
Synonyms: 2-[2-amino-5-(2-bromophenoxy)-6-methylpyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1nc(N)nc(c1Oc1ccccc1Br)C

STK594261
Synonyms: 7-methyl-N~5~-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Smiles: CN1CCc2c(C1)c(Nc1ccc(cc1)C)nc1c2c(N)n[nH]1

STK594263
Synonyms: 3-(4-chlorophenyl)-5-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2Nc1ccccc1

STK594266
Synonyms: 3'-(4-fluorophenyl)-6'-hydroxy-4-methyl-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O

STK594275
Synonyms: 5-{[(5-methylthiophen-2-yl)methyl]amino}-2-(morpholin-4-ium-4-yl)benzoate
Smiles: Cc1ccc(s1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1

STK594280
Synonyms: 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile
Smiles: N#Cc1c(N)nc(c(c1c1ccco1)c1ccccc1)C

STK852085
Synonyms: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)OCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O

STK852086
Synonyms: 2-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-3-carboxamide
Smiles: CN(C(=O)c1cccnc1c1nc2c(s1)cccc2)C

STK594284
Synonyms: 2-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-4-ol
Smiles: Cc1nc(nc(c1C)O)N1CCN(CC1)Cc1ccccc1

STK594286
Synonyms: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)OC)NC(=C(C1c1ccc(c(c1)OC)O)C(=O)Nc1ccccc1)C

STK594287
Synonyms: (4Z)-N-(5-chloropyridin-2-yl)-4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)Nc1ccc(cn1)Cl

STK852087
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK594295
Synonyms: 6-bromo-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
Smiles: Brc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]nc(s1)C(C)C

STK852088
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[5-(2-methoxyphenoxy)pyrimidin-4-yl]phenol
Smiles: COc1ccccc1Oc1cncnc1c1ccc(cc1O)OCc1ccc(cc1)Br

STK594298
Synonyms: 4-imino-9,10-dimethoxy-2-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc(OC)c(c1)OC)c1ccc(c(c1)OC)OCC(C)C

STK852091
Synonyms: 4-(2-chlorophenyl)-3-phenyl-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Smiles: O=C1Nc2n[nH]c(c2C(C1)c1ccccc1Cl)c1ccccc1

STK852092
Synonyms: 2'-amino-6'-(4-methoxyphenyl)-3,4'-bipyridine-3'-carbonitrile
Smiles: N#Cc1c(N)nc(cc1c1cccnc1)c1ccc(cc1)OC

STK852094
Synonyms: 1-benzyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1ccccc1F)Cc1ccccc1

STK594307
Synonyms: 9-methyl-2-(pyridin-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccn1

STK594314
Synonyms: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1CCSc1nnc(s1)C)c(=O)n(c(=O)n2C)C

STK852095
Synonyms: 2-methyl-3-phenyl-N-(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: CC(Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C)C

STK594319
Synonyms: 2-[(5Z)-4-oxo-5-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)pentyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCCN1C(=O)c2c(C1=O)cccc2

STK594321
Synonyms: 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2)/C1=O)NC1C=CS(=O)(=O)C1

STK594322
Synonyms: 1-[2-(9-methoxy-6H-indolo[2,3-b]quinoxalin-6-yl)ethyl]-1H-indole-2,3-dione
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1C(=O)C(=O)c2c1cccc2

STK594329
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1C)c1cccc(c1)Cl

STK594330
Synonyms: 2-benzyl-7-chloro-1-(4-hydroxy-3-methoxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1O)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK594332
Synonyms: 3-(4-chlorophenyl)-7-ethyl-1-[2-(pyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: CCN1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CCN1CCCC1)c1ccc(cc1)Cl

STK594338
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(4-chlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(C)nc(nc1c1ccc(cc1O)OCc1ccc(cc1)Cl)N

STK594341
Synonyms: tert-butyl(3S)-3-({(2S)-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]propan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)NCC1CCCO1

STK594342
Synonyms: 3-[(3a'S,6a'R)-5'-tert-butyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1

STK594348
Synonyms: 11-(furan-2-yl)-10-methyl-2-[(2-methylphenoxy)methyl]-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccccc1OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1

STK594349
Synonyms: [({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)oxy]aceticacid
Smiles: OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

STK594350
Synonyms: N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccccc1Cl

STK594353
Synonyms: N'-[(E)-(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]-4-methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cc2cc3OCCOc3cc2nc1O

STK594358
Synonyms: 7-(2-ethoxyethyl)-6-hydroxy-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: CCOCCn1c(SCC(=O)C)nc2c1c(O)nc(=O)n2C

STK594362
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)O

STK852100
Synonyms: 8,10-dimethyl-N-[3-(morpholin-4-yl)propyl]-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: CCCc1cc(NCCCN2CCOCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK594365
Synonyms: 6-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-4-ol
Smiles: Nc1cc(O)nc(n1)N1CCc2c(C1)cccc2

STK594367
Synonyms: 4-(2-{(E)-[1-(3-chlorophenyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: Clc1cccc(c1)N1C(=N/C(=C/c2cccn2c2ccc(cc2)C(=O)O)/C1=O)O

STK594368
Synonyms: 2-({5-[(1R)-1-amino-3-(methylsulfanyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-dimethylacetamide
Smiles: CSCC[C@H](c1nnc(o1)SCC(=O)N(C)C)N

STK852103
Synonyms: 8-(3-methoxypropyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C

STK594371
Synonyms: 2-hydroxy-N'-[(E)-(6-hydroxy[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]benzohydrazide
Smiles: Oc1nc2cc3OCOc3cc2cc1/C=N/NC(=O)c1ccccc1O

STK594373
Synonyms: (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1C

STK852108
Synonyms: 8-(3-methoxyphenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)OC)c1ccccc1

STK594378
Synonyms: 1,6,7,8-tetramethyl-3-[(2E)-3-phenylprop-2-en-1-yl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1n(C/C=C/c2ccccc2)c(=O)c2c(n1C)nc1n2c(C)c(n1C)C

STK594380
Synonyms: ethyl2-amino-5-hydroxy-7-methyl-4-(pyridin-4-yl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(N)Oc2c(C1c1ccncc1)c(O)nc(c2)C

STK852110
Synonyms: 2-ethyl-5-methyl-N-[2-(morpholin-4-yl)ethyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCc1nn2c(c1c1ccccc1)nc(cc2NCCN1CCOCC1)C

STK594387
Synonyms: 6-(butan-2-yl)-2-hydroxy-1-(2-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCC(N1CNc2c(C1)c(=O)nc(n2c1ccccc1C)O)C

STK852111
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: CCc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C)C1CCS(=O)(=O)C1

STK594391
Synonyms: N-[(2Z)-3-(4-bromo-2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: Brc1ccc(c(c1)F)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK852112
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK594394
Synonyms: (2Z,3Z)-2-benzylidene-3-(methoxycarbonyl)-4-phenylbut-3-enoicacid
Smiles: COC(=O)/C(=C\c1ccccc1)/C(=C/c1ccccc1)/C(=O)O

STK594395
Synonyms: 4-(4-propoxyphenoxy)[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: CCCOc1ccc(cc1)Oc1nc2ccccc2n2c1nnc2

STK594404
Synonyms: 1-(butan-2-yl)-9'-fluoro-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: CCC(N1C(=O)NC(=O)C2(C1=O)Cc1cccc(c1N1C2CCC1)F)C

STK852115
Synonyms: 3-(4-tert-butylphenoxy)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCC1)oc(c(c2=O)Oc1ccc(cc1)C(C)(C)C)C(F)(F)F

STK594407
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK594410
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc2c(c1)OCO2)C

STK594412
Synonyms: 3-(4-methoxyphenyl)-2-{[3-(morpholin-4-yl)propyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)n1c(NCCCN2CCOCC2)nc2c(c1=O)c1CCCCCc1s2

STK852116
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: Cc1cc(NCCCn2cncc2)n2c(n1)c1c(C)cc(nc1n2)C

STK594413
Synonyms: 3-[2-(dimethylamino)ethyl]-4-imino-5-(2-methoxyphenyl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c(=N)n(cn2)CCN(C)C)O

STK594415
Synonyms: N-(4-{(2,5-dimethoxybenzyl)[2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl)acetamide
Smiles: COc1ccc(cc1CN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CCN1CCOCC1)OC

STK594419
Synonyms: (2E)-3-(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoicacid
Smiles: OC(=O)/C=C/c1nn2c(n1)c1c(nc2C)sc2c1CCCC2

STK594420
Synonyms: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)C)/O

STK594422
Synonyms: N-[(1-benzylpiperidin-4-yl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NC1CCN(CC1)Cc1ccccc1)C

STK594426
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6-trimethoxy-N-methyl-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N(C1CCS(=O)(=O)C1)C

STK852119
Synonyms: 8-benzyl-3-(2-methoxyethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)Cc1ccccc1

STK594441
Synonyms: 5-(2-hydroxyphenyl)-N-{3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2

STK594447
Synonyms: tert-butyl(3S)-3-({2-oxo-2-[(1-phenylethyl)amino]ethyl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(NC(c1ccccc1)C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK594449
Synonyms: 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(4-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Fc1ccc(cc1)Cn1c(nc2c1c(O)nc(=O)n2C)n1nc(cc1C)C

STK594450
Synonyms: 1-(1-{6-[(2,4-difluorophenyl)amino]-2-methylpyrimidin-4-yl}-5-methyl-1H-pyrazol-4-yl)ethanone
Smiles: Fc1ccc(c(c1)F)Nc1nc(C)nc(c1)n1ncc(c1C)C(=O)C

STK594451
Synonyms: 6'-chloro-2,6-dihydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-4-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1c(Cl)cccc1N1C2CCC1

STK594459
Synonyms: (5E)-3-(4-chlorophenyl)-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/NCCc1c[nH]c2c1cccc2

STK594461
Synonyms: 2-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)acetamide
Smiles: COCC(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)CC(C)C

STK594463
Synonyms: 6-methoxy-N-(quinolin-3-yl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)Nc1cnc2c(c1)cccc2

STK594464
Synonyms: 4-chloro-N-[5-hydroxy-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1C

STK594472
Synonyms: 2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)COc1ccc2c(c1)oc(=O)c(c2C)C

STK594473
Synonyms: 4-hydroxy-6-methyl-5-pentyl-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: CCCCCc1c(C)nc2c(c1O)c(=O)n([nH]2)c1ccccc1

STK594476
Synonyms: 1-(4-bromophenyl)-7-chloro-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Brc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK594478
Synonyms: 2-(4-butoxy-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: CCCCOc1ccc(cc1OC)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC

STK594484
Synonyms: 2-(4-benzyl-7-chloro-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)-N-(4-bromophenyl)acetamide
Smiles: O=C(Cn1c(=O)c(=O)n(c2c1cc(Cl)cc2)Cc1ccccc1)Nc1ccc(cc1)Br

STK594485
Synonyms: N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]ethanesulfonamide
Smiles: CCS(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)Cc1ccco1

STK594486
Synonyms: 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)nc(nc1c1ccc(cc1O)OCc1ccccc1F)N

STK594487
Synonyms: (1Z)-6,7-dimethoxy-1-{[(3-methylphenyl)sulfonyl]methylidene}-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1cccc(c1)C

STK594491
Synonyms: ethyl2-[(3a'S,6a'R)-3'-(3-amino-3-oxopropyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cccc2

STK594492
Synonyms: N-methyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
Smiles: CNC(=O)c1ccc(cc1)n1nc(cc1c1ccccc1)C

STK594498
Synonyms: N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NCc1ccccc1

STK594500
Synonyms: (3S)-N-{(2S)-4-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]pentan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CC(C[C@@H](C(=O)NCC1CCCO1)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK594501
Synonyms: 2-hydroxy-4-({2-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoicacid
Smiles: O=C(C(N1C(=S)S/C(=C/c2cccs2)/C1=O)C)Nc1ccc(c(c1)O)C(=O)O

STK594505
Synonyms: 1-{[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}piperidine-2-carboxylicacid
Smiles: O=C(N1CCCCC1C(=O)O)CN1C(=O)S/C(=C\c2ccccc2)/C1=O

STK594507
Synonyms: 12-(furan-2-yl)-9,9-dimethyl-2-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1cccnc1

STK594512
Synonyms: 1-(3,4-diethoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1OCC)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK594519
Synonyms: 5-(2-ethoxyphenyl)-7-hydroxy-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccccc1C1CC(=Nc2c1c(=O)[nH]c(n2)C)O

STK594521
Synonyms: 2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccccc1Cl

STK594523
Synonyms: 7-methyl-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CC(CCn1cnc2c(c1=O)[nH]c1c2ccc(c1)C)C

STK594526
Synonyms: N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-4,6-dimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1ccc(c(c1)/C=N/NC(=O)c1cc2c([nH]1)cc(cc2OC)OC)OC

STK852132
Synonyms: 1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1[nH]c2n(c1C)c1c(n2)n(C)c(=O)n(c1=O)C

STK852136
Synonyms: N-(butan-2-yl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCC(Nc1cc(C)nc2n1ncc2c1ccc(cc1)Cl)C

STK852138
Synonyms: 8-(2,3-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1OC)OC)c1ccc(c(c1)C)C

STK594539
Synonyms: 2-[2-amino-5-(2-bromophenoxy)pyrimidin-4-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(cc1)F)Oc1ccccc1Br

STK594544
Synonyms: 5-(benzyloxy)-2-[4-(4-bromophenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: Brc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1

STK594546
Synonyms: 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindol-1-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CC1NC(=O)c2c1cccc2

STK852139
Synonyms: 4-[oxo(phenyl)acetyl]-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: O=C(c1ccc(cc1)C(=O)C(=O)c1ccccc1)/N=c\1/scc([nH]1)c1ccccc1

STK594549
Synonyms: 2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Smiles: COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)NCCc1ccc(cc1)S(=O)(=O)N

STK594551
Synonyms: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-N-[1-(thiophen-2-yl)ethyl]heptan-1-amine
Smiles: CC(CCC(C1CCOC(C1)(C)C)CCNC(c1cccs1)C)C

STK852140
Synonyms: N-benzyl-1-(3-methoxypropyl)-N-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)N(Cc1ccccc1)C

STK594554
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccc(cc1)[N+](=O)[O-])C1CCS(=O)(=O)C1

STK852141
Synonyms: 4-(2-chlorophenyl)-6-hydroxy-2-sulfanyl-4,5-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(S)N=C(CC1c1ccccc1Cl)O

STK594556
Synonyms: N-(4-oxo-3-phenyl-4H-chromen-2-yl)-2-(thiophen-2-yl)acetamide
Smiles: O=C(Nc1oc2ccccc2c(=O)c1c1ccccc1)Cc1cccs1

STK594559
Synonyms: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-[(2,5-dimethylbenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1cc(C)ccc1C)N

STK852143
Synonyms: 3,8-bis(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)OC

STK852144
Synonyms: 3-(2-methoxyphenyl)-7-[(2-methylprop-2-en-1-yl)oxy]-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCC(=C)C

STK594568
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-6-fluoro-2-methylquinoline-3-carboxamide
Smiles: Fc1ccc2c(c1)cc(c(n2)C)C(=O)/N=c\1/sc2c([nH]1)cccc2

STK594571
Synonyms: (1E)-N-hydroxy-1-(pyridin-3-yl)ethanimine
Smiles: O/N=C(/c1cccnc1)\C

STK594574
Synonyms: 4-(4-fluorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Fc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK594575
Synonyms: 6-(4-ethoxy-3-methoxybenzyl)-9-methoxy-6H-indolo[2,3-b]quinoxaline
Smiles: CCOc1ccc(cc1OC)Cn1c2ccc(cc2c2c1nc1ccccc1n2)OC

STK852146
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCN(CC1)c1ccccc1

STK852147
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)Cc1cccnc1

STK852149
Synonyms: 2-methyl-1-(4-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CN1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)cccc1

STK594582
Synonyms: (5Z)-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccc(cc1)C1NN/C(=C\2/C(=NC(=O)N(C2=O)CCC2=CCCCC2)O)/C1

STK594586
Synonyms: 2-[(5Z)-5-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-4-oxopentyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CCCN1C(=O)c2c(C1=O)cccc2

STK594592
Synonyms: P-morpholin-4-yl-N-(phenylsulfonyl)phosphonamidicacid
Smiles: OP(=O)(N1CCOCC1)NS(=O)(=O)c1ccccc1

STK852153
Synonyms: 2-(methylsulfanyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)SC

STK594593
Synonyms: N-{(2S)-1-[(1,3-benzodioxol-5-ylmethyl)amino]-1-oxopropan-2-yl}-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)C

STK852156
Synonyms: 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(pyridin-2-yl)acetamide
Smiles: COc1ccc2c(c1CC(=O)Nc1ccccn1)ccc(c2)Br

STK852157
Synonyms: 3-methyl-2-[(4-phenylpiperazin-1-yl)carbonyl]-6,7-dihydro-1-benzofuran-4(5H)-one
Smiles: O=C(c1oc2c(c1C)C(=O)CCC2)N1CCN(CC1)c1ccccc1

STK594603
Synonyms: 3-(1H-benzimidazol-1-yl)-N-benzylpropanamide
Smiles: O=C(CCn1cnc2c1cccc2)NCc1ccccc1

STK852158
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(CCNc2c(C)c(C)nc3n2ncc3c2ccccc2)ccc1OC

STK594604
Synonyms: 2-tert-butyl-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)C(C)(C)C

STK852159
Synonyms: 3-(2-ethoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-ylthiophene-2-carboxylate
Smiles: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OC(=O)c1cccs1

STK594609
Synonyms: methylN-{(E)-[1-(2-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1Cl)O

STK594612
Synonyms: (5E)-2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Smiles: O=C1/C(=C\c2ccco2)/N=C(N1C)c1ccccc1Cl

STK594616
Synonyms: 6-chloro-4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-methyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)c2ccccc2F)c2c(o1)cc(c(c2)Cl)C

STK594617
Synonyms: 10a-[(E)-2-(2-fluorophenyl)ethenyl]-8,10,10-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles: O=C1CCN2C(N1)(/C=C/c1ccccc1F)C(C)(C)c1c2ccc(c1)C

STK594618
Synonyms: 6-chloro-N-[(2Z)-6-chloro-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]c2c(s1)cc(cc2)Cl

STK852161
Synonyms: 4-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)O

STK594623
Synonyms: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxo-2H-chromen-7-olate
Smiles: CCN1CC[NH+](CC1)Cc1cc(=O)oc2c1ccc(c2C)[O-]

STK594624
Synonyms: N-[(2-fluorophenyl)carbamoyl]-L-valine
Smiles: O=C(Nc1ccccc1F)N[C@H](C(=O)O)C(C)C

STK594627
Synonyms: 2,5-dipropyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)CCC

STK594631
Synonyms: 1-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-proline
Smiles: OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK852165
Synonyms: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c([nH]n2)c1ccccc1O

STK594635
Synonyms: N-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)phenylalanine
Smiles: OC(=O)C(Nc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)Cc1ccccc1

STK594642
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK594643
Synonyms: methylN-{[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoyl}-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)CC)CC(C)C

STK594644
Synonyms: (5-chloro-1H-indol-2-yl)(2,6-dimethylmorpholin-4-yl)methanone
Smiles: CC1OC(C)CN(C1)C(=O)c1cc2c([nH]1)ccc(c2)Cl

STK594652
Synonyms: 7-bromo-1-(4-chlorophenyl)-2-(4-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc(cc1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK594653
Synonyms: N-{[trans-4-({[N-(tert-butoxycarbonyl)-L-leucyl]amino}methyl)cyclohexyl]carbonyl}-L-leucine
Smiles: CC(C[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)OC(C)(C)C)C

STK594658
Synonyms: N-[2-(4-tert-butylphenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-nitrobenzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])n2c(n1)nc(n2)c1ccc(cc1)C(C)(C)C

STK852168
Synonyms: 3-(2-bromophenoxy)-7-hydroxy-2-methyl-4H-chromen-4-one
Smiles: Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)C

STK594659
Synonyms: N-(3-hydroxypropyl)-2-[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]propanamide
Smiles: OCCCNC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2cccc1)C

STK594662
Synonyms: 2-benzyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
Smiles: Oc1c2CCCc2nc2n1nc(c2c1ccccc1)Cc1ccccc1

STK594663
Synonyms: 2-benzyl-4-hydroxy-N-(pyrimidin-2-yl)-2H-1,2-benzothiazine-3-carboxamide1,1-dioxide
Smiles: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)Nc1ncccn1

STK852169
Synonyms: 3-[4-(methoxycarbonyl)phenoxy]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylthiophene-2-carboxylate
Smiles: COC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)c1cccs1

STK852170
Synonyms: N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-methylbenzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)C

STK594665
Synonyms: 2-(3,4-diethoxyphenyl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: CCOc1cc(ccc1OCC)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

STK594673
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1O)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK594675
Synonyms: methyl4-[(5-{4-[(2-fluorobenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK852173
Synonyms: 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)-1,4-dihydropyridazine-3-carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N

STK594676
Synonyms: 4-methoxy-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NCc1cccnc1

STK594681
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-[(2E)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-1H-pyrazole-3-carboxamide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)c1n[nH]c(c1)c1cc(C)ccc1O)/[nH]2

STK852175
Synonyms: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-ol
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc(C)cc(n1)O

STK594687
Synonyms: N-(3-{[2-(2-hydroxy-3-methoxyphenyl)quinazolin-4-yl]oxy}phenyl)acetamide
Smiles: COc1cccc(c1O)c1nc(Oc2cccc(c2)NC(=O)C)c2c(n1)cccc2

STK594688
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-ylN-(tert-butoxycarbonyl)-D-alaninate
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)C

STK852177
Synonyms: 2-methyl-1-[4-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCOc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK852179
Synonyms: 3-chloro-4-ethoxy-N-[(2Z)-4-phenyl-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: CCOc1ccc(cc1Cl)C(=O)/N=c/1\scc([nH]1)c1ccccc1

STK594698
Synonyms: 1-[10-(furan-2-yl)-2-(3-hydroxynaphthalen-2-yl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1cc2ccccc2cc1O

STK594700
Synonyms: ethyl4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N

STK852184
Synonyms: 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide
Smiles: O=C(CC1SC(=O)NC1=O)Nc1cccc(c1)[N+](=O)[O-]

STK594703
Synonyms: 7-chloro-6'-hydroxy-3-methyl-3'-(2-phenylethyl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=NC(=O)N(C1=O)CCc1ccccc1)O

STK852185
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCNc1cc(C)nc2n1nc(c2c1ccc(c(c1)OC)OC)C

STK594706
Synonyms: N-(prop-2-en-1-ylcarbamoyl)-L-valine
Smiles: C=CCNC(=O)N[C@H](C(=O)O)C(C)C

STK852188
Synonyms: 4-{[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1nn(c(c1/C=N/n1c(=S)[nH]nc1c1ccco1)C)c1ccccc1

STK594708
Synonyms: (1S)-1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
Smiles: CCSc1nnc(o1)[C@H](Cc1ccccc1)N

STK849844
Synonyms: 3-(pyrimidin-2-ylamino)-2-benzofuran-1(3H)-one
Smiles: O=C1OC(c2c1cccc2)Nc1ncccn1

STK583365
Synonyms: 7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one
Smiles: CN1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2)C

STK583961
Synonyms: 2-(1,3-benzoxazol-2-ylamino)-6-(propan-2-yl)pyrimidin-4-ol
Smiles: Oc1nc(Nc2nc3c(o2)cccc3)nc(c1)C(C)C

STK850146
Synonyms: 6-chloro-4-(1H-imidazol-1-ylmethyl)-7-methyl-2H-chromen-2-one
Smiles: O=c1cc(Cn2cncc2)c2c(o1)cc(c(c2)Cl)C

STK584512
Synonyms: N'-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1c(C)c(o2)C)C

STK584609
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]propanamide
Smiles: CCC(=O)Nc1nonc1c1ccc(cc1)Cl

STK585566
Synonyms: 2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Smiles: CCN1CCN(CC1)c1nc2ccccn2c(=O)c1C=O

STK588474
Synonyms: (3S)-N-cyclopentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)NC1CCCC1

STK850943
Synonyms: 5-methyl-7-(pyrrolidin-1-yl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1nc2nc(nn2c(c1)N1CCCC1)C(F)(F)F

STK851226
Synonyms: 2,8,10-trimethyl-4-(morpholin-4-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCOCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK590616
Synonyms: N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2)n2c(n1)ncn2

STK590713
Synonyms: 6-chloro-4-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one
Smiles: CN1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)cc2

STK851453
Synonyms: 2-fluoro-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
Smiles: Cc1ccc(cc1)c1noc(c1)NC(=O)c1ccccc1F

STK851868
Synonyms: (4Z)-4-{[(2-fluorophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C\Nc1ccccc1F)c1ccccc1

STK594696
Synonyms: 10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Smiles: O=C1Cc2ccccc2N(c2c1cccc2)C(=O)N

STK594710
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-phenoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: O=C1N(Cc2cccnc2)C(c2c1n[nH]c2c1cc(Cl)c(cc1O)C)c1cccc(c1)Oc1ccccc1

STK852189
Synonyms: (2Z)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yldimethylcarbamate
Smiles: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C)OC(=O)N(C)C

STK594715
Synonyms: 4-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: C#CCSc1nc(O)c2c(n1)NC(=O)CC2c1cc(OC)c(c(c1)OC)O

STK852195
Synonyms: 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCOc1ccccc1NC(=O)c1sc2c(c1N)ccc(n2)c1ccc(cc1)OC

STK594727
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK594730
Synonyms: (5E)-5-({[2-(diethylamino)ethyl]amino}methylidene)-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN(CCN/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C)S)CC

STK594731
Synonyms: methyl4-[(5-{4-[(2-chloro-4-fluorobenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1Cl)F

STK594733
Synonyms: N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-diphenylacetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)Nc1cc(O)nc2n1ncn2

STK594740
Synonyms: 5-({[(5Z)-5-(2-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2Cl)/C1=O)Nc1ccc(c(c1)C(=O)O)O

STK594741
Synonyms: methylN-{[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamoyl}-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)Nc1ccc(c(c1)Cl)N1CCC(CC1)C

STK852196
Synonyms: 3-benzyl-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-4(3H)-one
Smiles: O=c1n(cnc2c1oc1c2cc2c(n1)CCCC2)Cc1ccccc1

STK852197
Synonyms: 2-methyl-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK594748
Synonyms: 2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)-N-(propan-2-yl)acetamide
Smiles: CC(NC(=O)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)C

STK594750
Synonyms: 6-hydroxy-5-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(c2=O)C)ccc1O

STK594753
Synonyms: N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2,2-diphenylacetamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)C(c1ccccc1)c1ccccc1

STK594762
Synonyms: 4-{[(2Z)-3-(3-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: COc1cccc(c1)CN1/C(=N/C(=O)CCC(=O)O)/SC2C1CS(=O)(=O)C2

STK852199
Synonyms: 2-(2-{[5-tert-butyl-3-(2-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1cc(nc2n1nc(c2c1ccccc1Cl)C)C(C)(C)C

STK594764
Synonyms: 3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1cc(ccc1OC)c1cnn2c1nc(C)cc2O

STK594767
Synonyms: 3-{[2-(dimethylamino)ethyl]sulfanyl}-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCCN(C)C)nnc2c2c1CC(C)(C)OC2

STK594769
Synonyms: (4Z)-4-(hydroxyimino)-3,6,6-trimethyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)NCCc1ccccc1

STK594773
Synonyms: 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1OC)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK594780
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[4-(3-methoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1cccc(c1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1cccc(c1)Cl

STK594781
Synonyms: 2,4-dimethoxy-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]benzamide
Smiles: COc1cc(OC)ccc1C(=O)Nc1ccc2c(c1)nc(o2)c1ccncc1

STK594783
Synonyms: N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycylglycyl-S-benzyl-L-cysteine
Smiles: O=C(NCC(=O)N[C@H](C(=O)O)CSCc1ccccc1)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK852201
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one
Smiles: COc1ccc(cc1OC)c1coc2c(c1=O)ccc(c2)OCc1c(F)cccc1Cl

STK594789
Synonyms: 8-(2-methoxyphenyl)-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1ccccc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK594792
Synonyms: 3-benzyl-6-hydroxy-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1[nH]cn2)Cc1ccccc1

STK594795
Synonyms: 6-chloro-4-{[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Smiles: COc1ccc(cc1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)[O-]

STK594797
Synonyms: 2-{[4-(dimethylamino)phenyl]amino}-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Nc2ccc(cc2)N(C)C)nc1=O

STK594800
Synonyms: (5Z)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(Oc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCc1ccccc1)c1ccccc1)C

STK594806
Synonyms: N-[(1-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-4-phenylpiperidin-4-yl)carbonyl]-L-alanine
Smiles: OC(=O)[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1)C

STK852204
Synonyms: 1-{[1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl]carbonyl}piperidine-4-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCC(CC1)C(=O)N

STK594807
Synonyms: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NCCCn1cncc1

STK594810
Synonyms: 6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: OCC(n1cc2c(c1c1ccc(cc1)C)c(=O)n(c(=O)n2C)C)(C)C

STK852206
Synonyms: 7-(4-methylphenyl)-3-(thiophen-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1cccs1

STK594812
Synonyms: 1-{[5-(4-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]methyl}-1H-indole-2,3-dione
Smiles: Oc1ccc(cc1)C1CC(=NN1CN1C(=O)C(=O)c2c1cccc2)c1cccs1

STK852207
Synonyms: N,1-dibenzyl-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCc1ccccc1)Cc1ccccc1

STK852208
Synonyms: ethyl4-[(7,8-dimethyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2C)C

STK594815
Synonyms: 7-chloro-1-(3-ethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK594816
Synonyms: 8-[(3-aminopropyl)amino]-6-hydroxy-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: NCCCNc1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C

STK594819
Synonyms: (4E)-5-hydroxy-4-{[1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: OC1=NN(C(=O)/C/1=C/c1cc(n(c1C)c1ccccc1O)C)c1ccccc1

STK594821
Synonyms: 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: O=C(C(Oc1cc2oc(=O)cc(c2cc1Cl)C)C)NCc1cccnc1

STK852210
Synonyms: 3-[4-(methoxycarbonyl)phenoxy]-4-oxo-4H-chromen-7-yl3-nitrobenzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK852211
Synonyms: N-(2-methoxyethyl)-5-methyl-3-phenyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: C=CCc1c(C)nc2n(c1NCCOC)ncc2c1ccccc1

STK594827
Synonyms: 5-(2-hydroxy-3,4-dimethylphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: COCCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2ccc(c(c2O)C)C)sc2c1CCCC2

STK594829
Synonyms: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK594833
Synonyms: (5E)-3-tert-butyl-6-hydroxy-5-(2-hydroxy-3-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cccc(c1O)/C=C/1\C(=NC(=O)N(C1=O)C(C)(C)C)O

STK594839
Synonyms: (3S)-N-{(2S)-3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CC([C@@H](C(=O)NCC1CCCO1)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK852212
Synonyms: 2-(3,4-dimethoxyphenyl)-4-ethyl-2-methyl-5-phenyl-2H-imidazole1,3-dioxide
Smiles: COc1cc(ccc1OC)C1(C)[N+](=C(C(=[N+]1[O-])c1ccccc1)CC)[O-]

STK594841
Synonyms: 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-N-[4-(propan-2-yl)benzyl]-4H-chromene-2-carboxamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C)c1cc(=O)c2c(o1)cc(c(c2)Cl)C

STK594842
Synonyms: 1-(3-bromophenyl)-7-fluoro-2-(6-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Brc1cccc(c1)C1N(c2cccc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK594845
Synonyms: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2C)C)NCc1ccccn1

STK594847
Synonyms: 4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2

STK852213
Synonyms: 2-[5-(4-chlorophenyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1ncncc1c1ccc(cc1)Cl

STK594853
Synonyms: 4-(2,4,4-trimethylpentan-2-yl)phenol
Smiles: CC(c1ccc(cc1)O)(CC(C)(C)C)C

STK594858
Synonyms:
Smiles: CCC([C@H](C(=O)O)NC(=O)Nc1cccc(c1)Br)C

STK594859
Synonyms: 5-(3-methoxyphenyl)-4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/C

STK594862
Synonyms: 2-{[3-cyano-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)N=C2C(=C(O)CCC2)C1c1ccco1

STK852217
Synonyms: methyl(6-bromo-2-methoxynaphthalen-1-yl)acetate
Smiles: COC(=O)Cc1c(OC)ccc2c1ccc(c2)Br

STK594873
Synonyms: 5,6-dimethoxy-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)NCC1CCCO1

STK594879
Synonyms: (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazinecarboximidamide
Smiles: NC(=N)N/N=C/1\N=C(c2c1cccc2)N

STK594882
Synonyms: 11-methyl-3-phenyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N=C2C)cccc3)CC(C1)c1ccccc1

STK594892
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-(4-ethylbenzyl)benzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)CC

STK594893
Synonyms: N-{7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}glycine
Smiles: OC(Cn1c(NCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)C

STK594897
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[5-(4-methoxyphenoxy)pyrimidin-4-yl]phenol
Smiles: COc1ccc(cc1)Oc1cncnc1c1ccc(cc1O)OCc1ccc(cc1)Br

STK852223
Synonyms: 6-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-ol
Smiles: Oc1nc(nc(c1)c1ccccc1)N1CCN(CC1)c1ccccc1

STK852224
Synonyms: 3-(1H-benzimidazol-2-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
Smiles: O=C(N1CCN(CC1)c1cccc(c1C)C)CCc1nc2c([nH]1)cccc2

STK852225
Synonyms: 8-(1-methyl-1H-indol-3-yl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Smiles: O=C1NC(=O)C2C1C(c1c(S2)[nH]c(=O)s1)c1cn(c2c1cccc2)C

STK594917
Synonyms: 4-amino-2'-oxo-1',2',6,7-tetrahydrospiro[1,3-dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-2,3'-indole]-3-carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cccc1)cc1c(c3)OCO1

STK594919
Synonyms: N'-[(E)-(4-fluorophenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccc(cc1)F

STK594920
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2Nc1ccc(cc1)C(C)C)C(C)(C)C

STK852232
Synonyms: 2-(azepan-1-ylcarbonyl)-1-(3-methoxypropyl)-9-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCCCCC1

STK594922
Synonyms: 1-(4-hydroxy-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)guanidine
Smiles: N=C(Nc1nc(C)cc(n1)O)Nc1ccc(cc1)C

STK594925
Synonyms: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)Cl)C

STK594927
Synonyms: methylN-[(4-acetylphenyl)carbamoyl]-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)C)C

STK852233
Synonyms: propan-2-yl{[(2Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Smiles: CC(OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O)C

STK594928
Synonyms: 4-hydroxy-6-methyl-5-(4-methylbenzyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1ccc(cc1)Cc1c(C)nc2c(c1O)c(=O)n([nH]2)c1ccccc1

STK852236
Synonyms: 3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1ccccc1O

STK594932
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK594933
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccc(cc1)C

STK852237
Synonyms: N-butyl-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCNC(=O)c1cc2c(n1C)nc1n(c2=O)cc(cc1)C

STK852238
Synonyms: N-benzyl-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)N(Cc1ccco1)Cc1ccccc1

STK594939
Synonyms: (5Z)-6-hydroxy-5-{1-[2-(naphthalen-1-yl)hydrazinyl]ethylidene}-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: C/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O)/NNc1cccc2c1cccc2

STK594944
Synonyms: 9-tert-butyl-N-[2-(dimethylamino)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CN(CCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C)C

STK594948
Synonyms: 4-({4-chloro-N-[3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]phenylalanyl}amino)butanoicacid
Smiles: O=C(NC(C(=O)NCCCC(=O)O)Cc1ccc(cc1)Cl)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C

STK594949
Synonyms: [4-(2-fluorophenyl)piperazin-1-yl][(4Z)-4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanone
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)N1CCN(CC1)c1ccccc1F

STK594950
Synonyms: 5,7-dimethyl-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cc(cc1OC)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK594954
Synonyms: 8-benzyl-5-(4-ethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1

STK594955
Synonyms: N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine
Smiles: CC1CCN(CC1)C(=O)N[C@H](C(=O)O)Cc1ccccc1

STK594962
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C)c([nH]n2)c1cc(Cl)c(cc1O)C

STK594971
Synonyms: 6-ethyl-2,5-dimethyl-3-phenyl-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCc1c(C)nc2n(c1Nc1ccncc1)nc(c2c1ccccc1)C

STK594975
Synonyms: 5-({[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)Nc1ccc(c(c1)C(=O)O)O

STK594976
Synonyms: N-(2,5-dimethoxyphenyl)-5-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1c(C)cc(cc1O)C)OC

STK594978
Synonyms: ethyl4-(8-benzyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1

STK594980
Synonyms: (5Z)-6-hydroxy-5-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2ccc(cc2)OC)/O)/C1=O)O

STK594981
Synonyms: (3aR,6aS)-5-(5-chloro-2-methylphenyl)-3-(2,3-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1c(OC)cccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)ccc1C

STK852241
Synonyms: N-(4-tert-butylbenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C)c1cc(=O)c2c(o1)cccc2

STK594983
Synonyms: (2E)-2-cyano-N-ethyl-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enamide
Smiles: CCNC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCN(CC1)c1ccc(cc1)OC)/C#N

STK594984
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-{3-[(4-ethoxyphenyl)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}acetamide
Smiles: CCOc1ccc(cc1)C(=O)c1c(NC(=O)CN2CCc3c(C2)cc(c(c3)OC)OC)sc2c1CCCC2

STK852243
Synonyms: N-(4-chlorophenyl)-2-hydroxy-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1ccc(cc1)Cl)C(=O)CC(C2)(C)C

STK594986
Synonyms: 3-hydroxy-4-{[(pyridin-3-ylmethyl)amino]methyl}-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Smiles: Oc1ccc2c(c1CNCc1cccnc1)oc(=O)c1c2CCCC1

STK594987
Synonyms: (2'S,3R,7a'S)-5-chloro-N-(4-methoxyphenyl)-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(Cl)cc1)CCC2

STK852244
Synonyms: 3-(4-bromophenyl)-8-(2,3-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1OC)OC)c1ccc(cc1)Br

STK594995
Synonyms: 3-[{2-[benzyl(methyl)amino]-5-nitrophenyl}(2-hydroxy-4-oxo-4,5-dihydrofuran-3-yl)methyl]-4-hydroxyfuran-2(5H)-one
Smiles: OC1=C(C(=O)CO1)C(c1cc(ccc1N(Cc1ccccc1)C)[N+](=O)[O-])C1=C(O)COC1=O

STK852245
Synonyms: N-cyclopentyl-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NC2CCCC2)n2c(n1)c(c1ccccc1)c(n2)C)C

STK594996
Synonyms: 2,3-diphenylquinoxaline-6-carboxamide
Smiles: NC(=O)c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1

STK594997
Synonyms: 2-[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1)oc(=O)c1c2CCC1

STK595000
Synonyms: 1-benzyl-N-(4-chlorophenyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK852246
Synonyms: 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1[nH]ncc1c1ccc(c(c1)OC)OC

STL036558
Synonyms: ethyl[(2E)-2-{[(4-nitrophenyl)acetyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N/C(=O)Cc2ccc(cc2)[N+](=O)[O-])/[nH]1

STK595003
Synonyms: N-[(1-{[(4S)-3-(tert-butoxycarbonyl)-1,3-thiazolidin-4-yl]carbonyl}-4-phenylpiperidin-4-yl)carbonyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1)C

STK595006
Synonyms: (1S,2S)-N'-{(E)-[5-(2-fluorophenyl)furan-2-yl]methylidene}-2-phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1ccccc1F

STK595014
Synonyms: 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n(c1=O)CCCN(C)C

STK852248
Synonyms: 2-(4-methoxyphenyl)-7-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1C

STK595017
Synonyms: N-(2-methylpropyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-4-carboxamide
Smiles: CC(CN(C(=O)c1ccncc1)Cc1cc2ccccc2[nH]c1=O)C

STK595018
Synonyms: 6-({4-chloro-N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]phenylalanyl}amino)hexanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)NC(C(=O)NCCCCCC(=O)O)Cc1ccc(cc1)Cl

STK595021
Synonyms: 7,8-dimethyl-4-(piperidin-1-ylmethyl)-2H-chromen-2-one
Smiles: O=c1cc(CN2CCCCC2)c2c(o1)c(C)c(cc2)C

STK595025
Synonyms: 2-(4-fluorophenyl)-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: Fc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CCCC2=O

STL036559
Synonyms: 6,8-dimethyl-N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)c(C)cc(c3)C)/[nH]2

STK852250
Synonyms: 7-(2,4-dimethylphenyl)-2-(thiophen-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(c(c1)C)n1ncc2c1ncn1c2nc(n1)c1cccs1

STK595030
Synonyms: (4Z)-2-(3-bromophenyl)-4-(3,4-dimethoxybenzylidene)-4H-imidazol-5-ol
Smiles: COc1cc(ccc1OC)/C=C/1\N=C(N=C1O)c1cccc(c1)Br

STK595034
Synonyms: 2-[(4,6-dimethylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)pyrimidin-4-ol
Smiles: COc1ccc(cc1)c1nc(nc(c1)O)Nc1nc(C)c2c(n1)ccc(c2)C

STK595040
Synonyms: (5Z)-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1-(propan-2-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=O)N=C(N(C2=O)C(C)C)S)C(=NC(=NC1=O)O)O

STK595041
Synonyms: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-[(3,4-dichlorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)c1ccc(cc1)Cl

STK595043
Synonyms: 2-(3,4-dimethoxybenzyl)-8,9-dimethylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)oc(c1C)C

STK595052
Synonyms: N,N-dimethyl-3-[(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)acetyl]benzenesulfonamide
Smiles: O=C(c1cccc(c1)S(=O)(=O)N(C)C)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK852256
Synonyms: 2-methyl-N-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1ccc(cc1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK595054
Synonyms: 3-benzyl-8-(3-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1

STK595055
Synonyms: {(5S)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-[(3-chloro-2-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: COc1cc(ccc1OCC(=O)N)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1cccc(c1C)Cl

STK852257
Synonyms: 2-(2-hydroxy-2-phenylethyl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OC(c1ccccc1)CN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1

STK595056
Synonyms: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2)C)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK595063
Synonyms: (6E)-6-[2-(naphthalen-1-yl)hydrazinylidene]-6-(pyridin-2-yl)hexanoicacid
Smiles: OC(=O)CCCC/C(=N\Nc1cccc2c1cccc2)/c1ccccn1

STK595070
Synonyms: 2,6-dihydroxy-3-(2-methylphenyl)-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)pyrimidin-4(3H)-one
Smiles: O=C1OC(c2c1cccc2)c1c(O)nc(n(c1=O)c1ccccc1C)O

STK852259
Synonyms: N-(4-fluorophenyl)-8,10-dimethyl-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: CCCc1cc(Nc2ccc(cc2)F)n2c(n1)c1c(C)cc(nc1n2)C

STK595075
Synonyms: 1-(4-chlorophenyl)-6-cyclohexyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)C1CCCCC1

STK595076
Synonyms: 5-bromo-6-methoxy-8-[(1E)-2-nitroprop-1-en-1-yl]-3,4-dihydro-2H-chromene
Smiles: COc1cc(/C=C(/[N+](=O)[O-])\C)c2c(c1Br)CCCO2

STK595078
Synonyms: 2-({3-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK595080
Synonyms: 2,2'-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]imino}diethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)CCO

STK852261
Synonyms: 5-{(E)-[1-(3-chlorophenyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Smiles: Clc1cccc(c1)N1C(=N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)/C1=O)O

STK852262
Synonyms: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1c(sc2c1CCCC2)NC(=O)c1cc(=O)c2c(o1)cccc2)NCc1ccccc1

STK852263
Synonyms: 8-[4-(methylsulfanyl)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)SC)c1ccccc1

STK595087
Synonyms: 3-(3-chlorophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1C)SCc1c(Cl)cccc1Cl

STK595088
Synonyms: N-(1,3-benzodioxol-5-yl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1ccc2c(c1)OCO2)C

STK595090
Synonyms: 2-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1H-isoindole-1,3(2H)-dione
Smiles: Oc1nc2nc(nn2c(c1)N1C(=O)c2c(C1=O)cccc2)c1ccccc1

STK595092
Synonyms: (5E)-3-butyl-5-({[3-(dimethylamino)propyl]amino}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C\NCCCN(C)C)/C1=O)O

STK595093
Synonyms: 2-chloro-N'-[(1Z)-1-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]benzohydrazide
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O)/NNC(=O)c1ccccc1Cl

STK595099
Synonyms: (5Z)-5-{[(3-ethyl-2',6'-dihydroxy-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)CC)C(=NC(=NC2=O)O)O)/C1=O)S

STK595101
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NCCCn1cncc1

STK595103
Synonyms: 8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-13,13-dimethyl-5,11b,12,13-tetrahydro-7H-isoindolo[2,1-b][2]benzazepin-7-one
Smiles: O=C(c1cccc2c1C(=O)N1C2CC(c2c(C1)cccc2)(C)C)N1CCC2(CC1)OCCO2

STK595106
Synonyms: 2-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(COc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)NCc1ccccn1

STK852268
Synonyms: N-(4-chlorophenyl)-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1nn(ccc1=O)c1cccc(c1)C

STK852269
Synonyms: methyl4-[(7-methoxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy]benzoate
Smiles: COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)C(=O)OC)C

STK595119
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(3-methoxyphenyl)hexanamide
Smiles: COc1cccc(c1)NC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK852270
Synonyms: 6-chloro-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: CSc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)ccc(c3)Cl)/s1

STK595125
Synonyms: 2-amino-6-(morpholin-4-yl)pyrimidin-4-ol
Smiles: Oc1cc(nc(n1)N)N1CCOCC1

STK595126
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK852271
Synonyms: 1-benzyl-9-methyl-4-oxo-N-[3-(propan-2-yloxy)propyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CC(OCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)C

STK595133
Synonyms: (3R)-2,2-dimethyl-N-{(2S)-3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC([C@@H](C(=O)NCC1CCCO1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK595134
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(3-methoxybenzyl)hexanamide
Smiles: COc1cccc(c1)CNC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK595136
Synonyms: N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1ccc(c(c1)Cl)F)C(=O)CCC2

STK595137
Synonyms: 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cc(c(c1)Cl)C

STK852272
Synonyms: 3-(2-hydroxyphenyl)-4-phenyl-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: O=C1c2n[nH]c(c2C(N1CCc1ccccc1)c1ccccc1)c1ccccc1O

STK595138
Synonyms: 2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
Smiles: O=C(C(N1C(=S)S/C(=C/c2ccco2)/C1=O)C)NCCc1c[nH]c2c1cccc2

STK595143
Synonyms: 7-benzyl-5,6-dimethyl-N-[3-(morpholin-4-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(NCCCN1CCOCC1)ncn2)Cc1ccccc1

STK595144
Synonyms: 1-tert-butyl4-(6-oxo-6H-benzo[c]chromen-3-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1)oc(=O)c1c2cccc1

STK852276
Synonyms: 5,6-dimethyl-7-(morpholin-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1c(C)nc2n(c1N1CCOCC1)ncc2c1ccccc1

STK595145
Synonyms: 1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-amine
Smiles: Cc1nn(c(c1)N)c1nc2c([nH]1)cccc2

STK852277
Synonyms: 4-(4-fluorophenyl)-2-(hexylsulfanyl)-6-hydroxy-4,5-dihydropyridine-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)F

STK595150
Synonyms: 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-N-(2-ethyl-6-methylphenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)N)NC(=C(C1c1ccco1)C(=O)Nc1c(C)cccc1CC)C

STK595152
Synonyms: ethylN-({[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1c1cccc(c1)C

STK595155
Synonyms: 7-(2,5-dimethylphenyl)-3-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(c(c1)n1ncc2c1ncn1c2nnc1CCc1ccccc1)C

STK595157
Synonyms: 2-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(CC1SC(=O)N(C1=O)Cc1ccc(cc1)F)Nc1nccs1

STK852278
Synonyms: 4-(2,4-dichlorophenoxy)-N-[(2E)-4-methyl-1,3-benzothiazol-2(3H)-ylidene]butanamide
Smiles: Clc1ccc(c(c1)Cl)OCCCC(=O)/N=c\1/sc2c([nH]1)c(C)ccc2

STK852279
Synonyms: 1,3,6,7-tetramethyl-8-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1ccccc1n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C

STK595160
Synonyms: 2-(4-fluorophenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc(OC)c(c1)OC)c1ccc(cc1)F

STK595161
Synonyms: (5Z)-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC(C)C)c2ccccc2)/C1=O

STK852280
Synonyms: 4-(3,5-difluorophenyl)-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: Fc1cc(cc(c1)F)C1N=C(N)N=c2n1c1ccccc1[nH]2

STK595166
Synonyms: 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)pyrimidin-4-ol
Smiles: COc1ccc(cc1)c1cc(O)nc(n1)Nc1nc(C)c2c(n1)cc(cc2)C

STK595179
Synonyms: 6-hydroxy-1,3-dimethyl-5-phenyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Smiles: OC1=C2C(=Nc3c(C2c2ccccc2)c(=O)n(c(=O)n3C)C)CCC1

STK595180
Synonyms: 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: CCCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)NCc1ccccn1

STK595185
Synonyms: 2-(3-methoxypropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
Smiles: COCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)NCc1ccccn1

STK595190
Synonyms: 7-chloro-1-(3-hydroxyphenyl)-6-methyl-2-(prop-2-en-1-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK595191
Synonyms: 6-chloro-5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Cc1nc2[nH]c(nn2c(=O)c1Cl)c1cccnc1

STK595200
Synonyms: 2-(2,4-dichlorophenyl)-8,9-dimethylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)c1nn2c(n1)c1c(nc2)oc(c1C)C

STK595210
Synonyms: 4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-2H-chromen-6-olate
Smiles: CN1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)c1ccccc1

STK595216
Synonyms: 3-(5-methyl-1H-pyrazol-3-yl)-5-[(naphthalen-1-ylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: Nn1c(SCc2cccc3c2cccc3)nnc1c1n[nH]c(c1)C

STK595221
Synonyms: 9,9-dimethyl-2-(2-methylphenyl)-12-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1ccccc1C

STK595223
Synonyms: 11-(furan-2-yl)-10-methyl-2,8-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccccc1)c1ccccc1

STK595224
Synonyms: (1Z)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-phenylpentan-2-one
Smiles: CCC(c1ccccc1)C(=O)/C=C/1\NCCc2c1cc(OC)c(c2)OC

STK595225
Synonyms: {(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2ccc3c(c2)CC(O3)C)/C1=O

STK595228
Synonyms: 2-({[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=O)S/C(=C/c2ccccc2)/C1=O

STK595229
Synonyms: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc(cc(c1O)Br)c1cc2c3cc4OCOc4cc3CCn2c(=N)c1C#N

STK595230
Synonyms: 6-chloro-4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-chromen-2-one
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1cc(=O)oc2c1c(C)c(c(c2)C)Cl

STK595231
Synonyms: 6-amino-4-hydroxy-1-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2(1H)-one
Smiles: Cc1nnc(s1)Sc1c(O)nc(=O)n(c1N)C

STK595232
Synonyms: 8-(4-chlorophenyl)-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)Cl

STK595235
Synonyms: 4,6-dihydroxy-1-(1-phenylethyl)pyrimidin-2(1H)-one
Smiles: Oc1cc(O)n(c(=O)n1)C(c1ccccc1)C

STK595236
Synonyms: 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
Smiles: CCN(C1CCS(=O)(=O)C1)C(=O)CN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK595243
Synonyms: N-(2-benzyl-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,4-dichlorobenzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)Nc1cc(O)nc2n1nc(n2)Cc1ccccc1

STK595244
Synonyms: 2-[8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanol
Smiles: OCCn1c(c2ccccc2)c(c2c1ncn1c2nc(n1)c1ccncc1)c1ccccc1

STK595247
Synonyms: 3-(1H-benzimidazol-1-yl)-N-(naphthalen-2-yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)cccc2)CCn1cnc2c1cccc2

STK852292
Synonyms: 5-methyl-N-[3-(morpholin-4-yl)propyl]-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(NCCCN2CCOCC2)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F

STK852294
Synonyms: N-(4-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1ccccc1)C

STK595255
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylicacid
Smiles: OC(=O)c1nnn(c1c1cccnc1)c1nonc1N

STK595256
Synonyms: 2-[7-(5-chloro-2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nn2c(n1)c1cnn(c1nc2)c1cc(Cl)ccc1C

STK595257
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccc(cc1)C)C

STK595258
Synonyms: (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
Smiles: C[C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1ccccc1C(F)(F)F

STK595259
Synonyms: (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1cc(Br)ccc1OC)CC

STK852299
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl2,6-dimethoxybenzoate
Smiles: COc1cccc(c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O)OC

STK852300
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NC(c1ccccc1)C

STK852302
Synonyms: ethyl[(2Z)-2-({[2-(propan-2-yl)phenoxy]acetyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)COc2ccccc2C(C)C)/[nH]1

STK595267
Synonyms: methyl4-[(5-{4-[(4-ethenylbenzyl)oxy]-2-hydroxyphenyl}-3-methyl-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)C=C

STK852303
Synonyms: N-(butan-2-yl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: CCC(Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C)C

STK595272
Synonyms: 3-[2-(diethylamino)ethyl]-8-ethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)CCN(CC)CC

STK595281
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1cc([nH]n1)c1cc(C)ccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK595282
Synonyms: methylN-[(3-acetylphenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cccc(c1)C(=O)C

STK595287
Synonyms: 12-(furan-2-yl)-2-[(4-methylphenoxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Cc1ccc(cc1)OCc1nc2n(n1)cnc1c2C(c2ccco2)c2c(O1)cc(cc2)O

STK595290
Synonyms: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl(1-ethyl-5-methoxy-2-methyl-1H-indol-3-yl)methanone
Smiles: CCn1c(C)c(c2c1ccc(c2)OC)C(=O)N1CCC2(CC1)OCCO2

STK595297
Synonyms: 3-{5-[(E)-(7-iminio-2-methyl-5-oxo-5H-[1,2]oxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
Smiles: Cc1on2c(=NC(=O)/C(=C/c3ccc(o3)c3cccc(c3)C(=O)[O-])/C2=[NH2+])c1

STK852304
Synonyms: 1-(3-chlorophenyl)-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: Clc1cccc(c1)n1ccc(=O)c(n1)C(=O)/N=c\1/[nH]nc(s1)C

STK595299
Synonyms: N-(1'-tert-butyl-2',4',6'-trioxo-1',3',4',6',6a,7,8,9,10,11-decahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidin]-3-yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)CC1(C3N2CCCCC3)C(=O)NC(=O)N(C1=O)C(C)(C)C

STK595304
Synonyms: 5,7-dimethyl-1-phenyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1cc(C)c2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1)Cc1cccnc1

STK595305
Synonyms: 4-(4-ethoxy-3-methoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1ccc(cc1OC)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK595307
Synonyms: 1-benzyl-6-(furan-2-ylmethyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(O)n(c2c1CN(CN2)Cc1ccco1)Cc1ccccc1

STK595309
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-(2-phenylethyl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCCc1ccccc1

STK595312
Synonyms: 2-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)C(C)C)Cc1cccnc1

STK595313
Synonyms: 1-{3-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)CCN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK595317
Synonyms: 5-(4-fluorophenyl)-6-hydroxy-1,3-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Smiles: Fc1ccc(cc1)C1C2=C(O)CCCC2=Nc2c1c(=O)n(C)c(=O)n2C

STK595322
Synonyms: N-{[trans-4-({[3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}methyl)cyclohexyl]carbonyl}norvaline
Smiles: CCCC(C(=O)O)NC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OC

STK595324
Synonyms: N-(2-hydroxyethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: OCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK595327
Synonyms: 2-[2-amino-5-(3-methoxyphenoxy)-6-methylpyrimidin-4-yl]-5-[(2,5-dimethylbenzyl)oxy]phenol
Smiles: COc1cccc(c1)Oc1c(C)nc(nc1c1ccc(cc1O)OCc1cc(C)ccc1C)N

STK852307
Synonyms: methyl[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]acetate
Smiles: COC(=O)Cc1csc(n1)CC(=O)N

STK595331
Synonyms: (2E)-N-(3-bromobenzyl)-3-(2-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccccc1Cl

STK595333
Synonyms: 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(c2ccc(cc2)OC)c2c(C1=O)oc1c(c2=O)cc(cc1C)C

STK595337
Synonyms: 2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-N-[4-(dimethylamino)phenyl]acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1ccc(cc1)N(C)C

STK852311
Synonyms: 3-(4-chlorophenyl)-7-[2-(4-fluorophenyl)-2-oxoethoxy]-4H-chromen-4-one
Smiles: Fc1ccc(cc1)C(=O)COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Cl

STK595339
Synonyms: 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1cccnc1

STK595341
Synonyms: (3R)-N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC([C@@H](C(=O)NC1CCCCC1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK852314
Synonyms: 5-tert-butyl-3-phenyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1ccccc1)Nc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK852315
Synonyms: 8-(2-chlorophenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1Cl)C

STK595348
Synonyms: 2-hydroxy-4-({[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2cccs2)/C1=O)Nc1ccc(c(c1)O)C(=O)O

STK595352
Synonyms: (3S,3'S,3a'R,6a'S)-5-bromo-3'-[2-(methylsulfanyl)ethyl]-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CSCC[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cc(Br)cc1

STK595360
Synonyms: 7-chloro-2-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)ccc(c1)Cl

STK595362
Synonyms: 5-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1cc(ccc1OC)C1CC(=Nc2c1c(=O)[nH]c(n2)C)O

STK595365
Synonyms: 5-(2,4-dichlorophenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: CSc1nc(=O)c2c(n1C)N=C(CC2c1ccc(cc1Cl)Cl)O

STK852316
Synonyms: 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-[(4-bromobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)Br)N

STK852317
Synonyms: 2-(4,5-diphenyl-2-thioxo-2,3-dihydro-1H-imidazol-1-yl)-1-(4-fluorophenyl)ethanone
Smiles: Fc1ccc(cc1)C(=O)Cn1c(=S)[nH]c(c1c1ccccc1)c1ccccc1

STK595371
Synonyms: 4-hydrazinyl-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: NNc1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK852318
Synonyms: ethylN-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)glycinate
Smiles: CCOC(=O)CNC(=O)c1cnn2c1nccc2

STK595374
Synonyms: 1-{1-[6-(biphenyl-4-yloxy)-2-methylpyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: Cc1nc(Oc2ccc(cc2)c2ccccc2)cc(n1)n1ncc(c1C)C(=O)C

STK595375
Synonyms: (8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(furan-2-yl)methanone
Smiles: Clc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)c1ccco1

STK852320
Synonyms: 3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-5-propyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCN1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)c1ccccc1O

STK595380
Synonyms: (6E)-6-[2-(4-iodophenyl)hydrazinylidene]-6-(pyridin-2-yl)hexanoicacid
Smiles: OC(=O)CCCC/C(=N\Nc1ccc(cc1)I)/c1ccccn1

STK595390
Synonyms: 4-hydroxy-8-(2-hydroxyethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: OCCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK595391
Synonyms: 3-[(3S,3'S,3a'R,6a'S)-5-fluoro-2,4',6'-trioxo-5'-(tetrahydrofuran-2-ylmethyl)-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cc(F)cc1

STK595392
Synonyms: 1-cyclohexyl-2-imino-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(C2CCCCC2)c(=N)c(c1)S(=O)(=O)c1ccccc1

STK852322
Synonyms: 3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1ccccc1O

STK595394
Synonyms: (2-fluorophenyl)[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]methanone
Smiles: COc1ccccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)c1ccccc1F

STK852323
Synonyms: 2-methyl-N-[3-(morpholin-4-yl)propyl]-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCCN2CCOCC2)CCCC1

STK595399
Synonyms: methyl4-[(5-{4-[(4-fluorobenzyl)oxy]-2-hydroxyphenyl}-3-methyl-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)F

STK852326
Synonyms: 4-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1ccccc1O

STK595406
Synonyms: 4-(2-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1n1c(=S)[nH]nc1c1[nH]nc(c1)c1ccccc1

STK595407
Synonyms: N-[2-(1H-indol-3-yl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide
Smiles: O=C(CCN1C(=S)S/C(=C\c2cccs2)/C1=O)NCCc1c[nH]c2c1cccc2

STK595410
Synonyms: 4-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)c2ccccc2)c2c(o1)cc1c(c2)CCCC1

STK852328
Synonyms: 2-amino-5-(3,4-dimethoxyphenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: COc1ccc(cc1OC)C1CC(=O)Nc2c1c(O)nc(n2)N

STK595411
Synonyms: 3-{(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STK595419
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1cccc(c1)NC(=O)C)C

STK595421
Synonyms: trans-4-[({[(2-chloro-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NC[C@@H]1CC[C@H](CC1)C(=O)O

STK595425
Synonyms: 4-{[(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino}benzoicacid
Smiles: O=C(CC1SC(=O)NC1=O)Nc1ccc(cc1)C(=O)O

STK595429
Synonyms: (3R)-N-{(2S)-1-[(4-chlorobenzyl)amino]-3-methyl-1-oxobutan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: Clc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

STK595432
Synonyms: 5-[(2,5-dimethylbenzyl)oxy]-2-(4-phenyl-1H-pyrazol-3-yl)phenol
Smiles: Cc1ccc(c(c1)COc1ccc(c(c1)O)c1n[nH]cc1c1ccccc1)C

STK595434
Synonyms: (3a'S,6a'R)-5'-tert-butyl-3'-(1-hydroxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1)O

STK595437
Synonyms: 2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
Smiles: CCOc1ccccc1C(=O)NCCc1cnc[nH]1

STK595438
Synonyms: N-(furan-2-ylmethyl)-4-methyl-3-(1H-pyrrol-1-yl)benzamide
Smiles: O=C(c1ccc(c(c1)n1cccc1)C)NCc1ccco1

STK595440
Synonyms: 2-[(3-fluorobenzyl)sulfanyl]-7-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1cc(ccc1O)C1CC(=Nc2c1c(=O)[nH]c(n2)SCc1cccc(c1)F)O

STK595442
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK595444
Synonyms: ethyl4-{[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc(C)nc(c1)n1ncc(c1C)C(=O)C

STK595447
Synonyms: 1-[1-(6-{[4-(dimethylamino)phenyl]amino}pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl]ethanone
Smiles: CN(c1ccc(cc1)Nc1ncnc(c1)n1ncc(c1C)C(=O)C)C

STK595448
Synonyms: ethyl4-(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK595455
Synonyms: 5-chloro-N-(2-cyanoethyl)-N-methyl-1H-indole-2-carboxamide
Smiles: N#CCCN(C(=O)c1cc2c([nH]1)ccc(c2)Cl)C

STK595462
Synonyms: N-cyclohexyl-8,10-dimethyl-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: CCCc1cc(NC2CCCCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK852334
Synonyms: 5-methyl-3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2NCc1cccnc1

STK595466
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(onc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1F

STK852337
Synonyms: N-(3-fluorophenyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1cccc(c1)F

STK595470
Synonyms: (5E)-2,6-dihydroxy-5-{[(2-oxo-2H-chromen-6-yl)amino]methylidene}pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C/Nc2ccc3c(c2)ccc(=O)o3)/C(=N1)O

STK852338
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NCC1CCCO1

STK595474
Synonyms: N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide
Smiles: Oc1cc(NC(=O)c2ccco2)n2c(n1)ncn2

STK595475
Synonyms: N-[5-hydroxy-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dimethoxybenzamide
Smiles: COc1ccc(cc1)c1nn2c(n1)nc(cc2NC(=O)c1ccc(c(c1)OC)OC)O

STK595483
Synonyms: (2Z)-2-(2H-chromen-3-ylmethylidene)-6-[(2-fluorobenzyl)oxy]-1-benzofuran-3(2H)-one
Smiles: O=C1/C(=C/C2=Cc3c(OC2)cccc3)/Oc2c1ccc(c2)OCc1ccccc1F

STK595488
Synonyms: 6-benzyl-2,5-dimethyl-3-phenyl-N-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(Nc1c(Cc2ccccc2)c(C)nc2n1nc(c2c1ccccc1)C)C

STK595489
Synonyms: N-(2,5-dimethoxyphenyl)-2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: COc1ccc(cc1NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)O)OC

STK595490
Synonyms: 3-(4-fluorobenzyl)-5-hydroxy-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
Smiles: Fc1ccc(cc1)CN1C(=NC(C1=O)(O)C(F)(F)F)c1ccccc1

STK595497
Synonyms: 2-(4-chloro-2-methylphenoxy)-1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)COc1ccc(cc1C)Cl

STK595500
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2,4-dimethoxyphenyl)methanone
Smiles: COc1ccc(c(c1)OC)C(=O)N1CCc2c(C1)cc(c(c2)OC)OC

STK595502
Synonyms: 4,6,7-trimethoxy-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1cc2c([nH]1)c(OC)c(cc2OC)OC

STK595504
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(4-methylbenzyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1O)C1N(Cc2ccc(cc2)C)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK595506
Synonyms: (6E)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-7-imino-2-methyl-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Smiles: Clc1ccc2c(c1)c(=O)c(co2)/C=C\1/C(=O)N=c2n(C1=N)oc(c2)C

STK595508
Synonyms: N-[5-hydroxy-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thiophene-2-carboxamide
Smiles: Oc1cc(NC(=O)c2cccs2)n2c(n1)nc(n2)c1ccccc1C

STK852344
Synonyms: 1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1

STK852345
Synonyms: 6,8-dimethyl-4-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

STK595519
Synonyms: N-[4-(2-methoxyphenyl)-6-methyl-5-oxo-2-phenyl-2,5-dihydropyridazin-3-yl]furan-2-carboxamide
Smiles: COc1ccccc1c1c(NC(=O)c2ccco2)n(nc(c1=O)C)c1ccccc1

STK595524
Synonyms: (2E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(4-fluorophenyl)prop-2-en-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)/C=C/c1ccc(cc1)F

STK595525
Synonyms: 1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl4-methylpiperazine-1-carbodithioate
Smiles: CC(C(=O)c1cc(Br)ccc1O)SC(=S)N1CCN(CC1)C

STK595526
Synonyms: 8-chloro-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: CC(Cc1nc2oc3c(c2c2c1CCCC2)ncnc3Cl)C

STK595529
Synonyms: 3-(2-hydroxyethyl)-5,8-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: OCCn1cnc2c(c1=O)n(C)c1c2cc(cc1)C

STK595531
Synonyms: (5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)CC1CCCO1

STK595532
Synonyms: 2-(4-fluorophenyl)-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoline
Smiles: Fc1ccc(cc1)c1cn2c(c1)c1cc3OCOc3cc1CC2

STK595538
Synonyms: 2-[({4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)amino]benzamide
Smiles: O=C(C1CCC(CC1)Cn1cnc2c(c1=O)cccc2)Nc1ccccc1C(=O)N

STK595542
Synonyms: (1'S,3R,3'S,7a'S)-5''-fluoro-1'-[(4-fluorophenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK595551
Synonyms: 2-(4-fluorophenyl)-4-[(4-methylphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Cc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1)F

STK595552
Synonyms: 9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCOc1cc(ccc1O)C1C2=C(O)CC(CC2=Nc2n1nc(n2)SC)(C)C

STK595555
Synonyms: 9,9-dimethyl-12-(4-methylphenyl)-2-(pyridin-4-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: Cc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)c1ccncc1)CC(CC2=O)(C)C

STK595557
Synonyms: 1'-methyl-6'-nitro-1-(propan-2-yl)-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCC1N(C)c2ccc(cc2CC21C(=O)NC(=O)N(C2=O)C(C)C)[N+](=O)[O-]

STK595560
Synonyms: N-[(2Z)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]-3,3-diphenylpropanamide
Smiles: O=C(/N=c/1\sc2c([nH]1)ccc(c2)[N+](=O)[O-])CC(c1ccccc1)c1ccccc1

STK595563
Synonyms: N-[5-hydroxy-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thiophene-2-carboxamide
Smiles: Oc1cc(NC(=O)c2cccs2)n2c(n1)nc(n2)COc1ccccc1

STK595566
Synonyms: 3-(bicyclo[2.2.1]hept-2-yl)phenylphenylcarbamate
Smiles: O=C(Nc1ccccc1)Oc1cccc(c1)C1CC2CC1CC2

STK595567
Synonyms: (5Z)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O

STK595573
Synonyms: 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1onc(c1c1ccc(cc1)Cl)C(F)(F)F

STK595574
Synonyms: 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl]benzamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2ccc(cc2)F)oc2c(c1=O)cccc2

STK595575
Synonyms: N-[4-(4-methoxyphenyl)-6-methyl-5-oxo-2-phenyl-2,5-dihydropyridazin-3-yl]butanamide
Smiles: CCCC(=O)Nc1c(c2ccc(cc2)OC)c(=O)c(nn1c1ccccc1)C

STK595577
Synonyms: (2S)-N-(furan-3-ylmethyl)-2-(1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanamide
Smiles: O=c1n([C@H](C(=O)NCc2ccoc2)Cc2ccccc2)c(=O)c2c(n1C)cccc2

STK595579
Synonyms: propan-2-yl{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1)C

STK595584
Synonyms: N-(butan-2-ylcarbamoyl)-D-valine
Smiles: CCC(NC(=O)N[C@@H](C(=O)O)C(C)C)C

STK595586
Synonyms: 5-hydrazinyl-8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: NNc1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK852355
Synonyms: 2-{3-hydroxy-4-[4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy}acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C(F)(F)F

STK595591
Synonyms: N,N-diethyl-N'-[7-(furan-2-ylmethyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
Smiles: CCN(CCCNc1ncnc2c1c(C)c(n2Cc1ccco1)C)CC

STK595598
Synonyms: [(3Z)-3-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]aceticacid
Smiles: COc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)N/N=C/1\C(=O)N(c2c1cccc2)CC(=O)O

STK852359
Synonyms: 3-[(2E)-2-(2-nitrobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol
Smiles: Oc1cnnc(n1)N/N=C/c1ccccc1[N+](=O)[O-]

STK852360
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CCC2)NCc1ccc2c(c1)OCO2

STK595604
Synonyms: 7-(ethylsulfanyl)-2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: CCSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CC(OC3)(C)C

STK595605
Synonyms: 3-(3-chlorophenyl)-2-{[3-(dimethylamino)propyl]amino}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN(CCCNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C)C

STK595611
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-7-[4-(diphenylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(C)(C)C

STK595614
Synonyms: 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-[(3,4-dichlorobenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N

STK595616
Synonyms: 2-methyl-3-phenyl-8-[4-(pyridin-2-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCN(CC2)c2ccccn2)CCC1

STK852361
Synonyms: 5-ethoxy-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
Smiles: CCOc1ccc(c(c1)O)c1onc(c1c1ccc(cc1)OC)C

STK852363
Synonyms: ethyl2-methyl-4-(3,4,5-trimethoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(c(c1)OC)OC)c1ccccc1[nH]2

STK595621
Synonyms: (2Z)-2-(3-chlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl3-methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(c1)Cl)/C2=O

STK595622
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccc(cc1)Nc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C

STK595623
Synonyms: (5Z)-5-(2H-chromen-3-ylmethylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/C2=Cc3c(OC2)cccc3)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK595628
Synonyms: 1-(2-fluorobenzyl)-3,7-dimethyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1F)C