Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK579181
Synonyms: 7- chloro- 1- (3- ethoxy- 4- hydroxyphenyl)- 2- (2- methoxyethyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK579182
Synonyms: 4- (8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)aniline
Smiles: Nc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK579183
Synonyms: (6aR,6bS,7aS,8S,11R,11aR,12aR,13S)- 13- (phenylcarbonyl)- 6a,6b,7a,8,11,11a,12a,13- octahydro- 8,11- methanobenzo[5,6]isoindolo[2,1- a]quinoline- 7,12- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)C4)c1ccccc1

STK579187
Synonyms: 7- (furan- 2- yl)- 9- [3- (morpholin- 4- yl)propyl]- 7,9- dihydro- 8H- benzo[7,8]chromeno[2,3- d]pyrimidin- 8- imine
Smiles: N=c1n(CCCN2CCOCC2)cnc2c1C(c1ccco1)c1c(O2)c2ccccc2cc1

STK849155
Synonyms: 2- {[(5E)- 5- (acetylimino)- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (5- chloro- 2- methylphenyl)acetamide
Smiles: Cc1ccc(cc1NC(=O)CSc1n[nH]/c(=N\C(=O)C)/s1)Cl

STK579190
Synonyms: N- benzyl- 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCc2ccccc2)CCC1

STK579192
Synonyms: 1- [11- (3,5- difluorophenyl)- 1- hydroxy- 3- methyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 2- methylpropan- 1- one
Smiles: CC1CC(=C2C(=Nc3ccccc3N(C2c2cc(F)cc(c2)F)C(=O)C(C)C)C1)O

STK579194
Synonyms: 4- [(dibutylamino)methyl]- 7,8- dihydrocyclopenta[g]chromen- 2(6H)- one
Smiles: CCCCN(Cc1cc(=O)oc2c1cc1CCCc1c2)CCCC

STK579199
Synonyms: 5- (3,4- dichlorophenyl)- N'- [(E)- pyridin- 4- ylmethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)N/N=C/c1ccncc1

STK579200
Synonyms: 1- (N- {[1- (4- methoxyphenyl)- 5- oxopyrrolidin- 3- yl]carbonyl}- L- valyl)piperidine- 4- carboxylicacid
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)N1CCC(CC1)C(=O)O)C(C)C

STK579201
Synonyms: tert- butyl{(1S)- 1- [5- (benzylsulfonyl)- 1,3,4- oxadiazol- 2- yl]- 3- methylbutyl}carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1)NC(=O)OC(C)(C)C)C

STK579203
Synonyms: 2- fluoro- N- [2- (furan- 2- yl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2F)n2c(n1)nc(n2)c1ccco1

STK579205
Synonyms: 3- phenyl- 2,5- dihydrothiophene1,1- dioxide
Smiles: O=S1(=O)CC=C(C1)c1ccccc1

STK579207
Synonyms: {[2- (3,5- dimethylpiperidin- 1- yl)- 2- oxoethyl]sulfanyl}aceticacid
Smiles: CC1CC(C)CN(C1)C(=O)CSCC(=O)O

STK579209
Synonyms: N- (2- methoxyphenyl)- 5,6- dimethylfuro[2,3- d]pyrimidin- 4- amine
Smiles: COc1ccccc1Nc1ncnc2c1c(C)c(o2)C

STK579210
Synonyms: N- [3- (ethylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 5- (2- hydroxy- 3,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)cc(c2O)C)sc2c1CCCC2

STK579214
Synonyms: 9- methoxy- 6- [2- (4- methylphenoxy)ethyl]- 6H- indolo[2,3- b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(cc1)C

STK579215
Synonyms: methylN- [(thiophen- 2- ylmethyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)NCc1cccs1)C

STK579223
Synonyms: 7- benzyl- N- [3- (1H- imidazol- 1- yl)propyl]- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c(NCCCn2cncc2)ncn1

STK579228
Synonyms: 2- (4- methoxyphenyl)- N- [3- (1H- tetrazol- 1- yl)phenyl]acetamide
Smiles: COc1ccc(cc1)CC(=O)Nc1cccc(c1)n1cnnn1

STK849159
Synonyms: 1- (3- fluorophenyl)- 2- (3- hydroxypropyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)F)c(=O)c1c(o2)cccc1

STK579233
Synonyms: 4- {[(Z)- (3- methyl- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene)methyl]amino}benzamide
Smiles: CC1=NN(C(=O)/C/1=C\Nc1ccc(cc1)C(=O)N)c1ccccc1

STK579234
Synonyms: 2- [(2,3- dimethylphenyl)amino]- 4- (2- methoxyphenyl)- 8- methyl- 4H- pyrimido[1,2- a][1,3,5]triazin- 6- ol
Smiles: COc1ccccc1C1N=C(Nc2cccc(c2C)C)N=c2n1c(O)cc(n2)C

STK579235
Synonyms: methylN- (cyclopentylcarbamoyl)- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)NC1CCCC1)C

STK579239
Synonyms: methyl[1- (1H- benzimidazol- 2- yl)- 5- oxo- 2,5- dihydro- 1H- pyrazol- 3- yl]acetate
Smiles: COC(=O)Cc1[nH]n(c(=O)c1)c1nc2c([nH]1)cccc2

STK579242
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (4- methoxyphenoxy)acetamide
Smiles: COc1ccc(cc1)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK579243
Synonyms: N- (3- bromobenzyl)- 2- (2- chlorophenoxy)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccccc1Cl

STK849160
Synonyms: N- [(2E)- 6- (methylsulfamoyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 4- carboxamide
Smiles: CNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccncc1)/[nH]2

STK849163
Synonyms: 3- (2- hydroxyphenyl)- 5- (2- methoxyethyl)- 4- [4- (methylsulfanyl)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O

STK579254
Synonyms: 3- benzyl- 4- imino- 5- (2- methoxyphenyl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c(=N)n(cn2)Cc1ccccc1)O

STK579256
Synonyms: 4- {[(E)- furan- 2- ylmethylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccco1

STK579260
Synonyms:
Smiles: CCC([C@@H](C(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O)C

STK849164
Synonyms: ethyl4- {[(3- methyl- 2- oxo- 2,3- dihydro- 1,3- benzoxazol- 6- yl)sulfonyl]amino}piperidine- 1- carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C

STK579265
Synonyms: 5- (3- cyclopropyl- 1H- pyrazol- 5- yl)- 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCCO2)c1[nH]nc(c1)C1CC1

STK579266
Synonyms: N- [2- (4- chlorophenyl)ethyl]- 2- (7,8- dihydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NCCc1ccc(cc1)Cl

STK579267
Synonyms: 5- [(4- bromobenzyl)oxy]- 2- [5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)Br

STK849167
Synonyms: 3,6,6- trimethyl- N- (4- methylpyridin- 2- yl)- 4- oxo- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: Cc1ccnc(c1)NC(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C

STK849168
Synonyms: 6- chloro- N- [3- (methylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)ccc(c3)Cl)sc2c1CCCC2

STK579278
Synonyms: N- [(9- oxo- 9H- fluoren- 4- yl)carbonyl]- L- phenylalanine
Smiles: OC(=O)[C@@H](NC(=O)c1cccc2c1c1ccccc1C2=O)Cc1ccccc1

STK579280
Synonyms: 3,4- dihydroisoquinolin- 2(1H)- yl(5,6- dimethoxy- 1H- indol- 2- yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCc2c(C1)cccc2

STK579284
Synonyms: 2- [(6- ethoxy- 4- methylquinazolin- 2- yl)amino]- 6- methyl- 5- (3- methylbutyl)pyrimidin- 4- ol
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)Nc1nc(C)c(c(n1)O)CCC(C)C

STK579286
Synonyms: 3- (4- chlorobenzyl)- 4- methylpyrimido[1,2- a]benzimidazol- 2- ol
Smiles: Clc1ccc(cc1)Cc1c(O)nc2n(c1C)c1ccccc1n2

STK849169
Synonyms: 1- (3- methoxypropyl)- 9- methyl- 4- oxo- N- (pyridin- 3- ylmethyl)- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1cccnc1

STK579293
Synonyms: 1- amino- 8,8- dimethyl- 5- (pyrrolidin- 1- yl)- N- (1,3- thiazol- 2- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)Nc1nccs1

STK579294
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1ccc(cc1NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C)Cl

STK579297
Synonyms: 6- benzyl- 7- hydroxy- 2,5- dimethylpyrazolo[1,5- a]pyrimidine- 3- carbonitrile
Smiles: N#Cc1c(C)nn2c1nc(C)c(c2O)Cc1ccccc1

STK849170
Synonyms: N- (3- fluorophenyl)- 1- (3- methoxypropyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1cccc(c1)F

STK579299
Synonyms: N- [3- (1H- tetrazol- 1- yl)phenyl]pyridine- 3- carboxamide
Smiles: O=C(c1cccnc1)Nc1cccc(c1)n1cnnn1

STK579300
Synonyms: (E)- 1- (4- chlorophenyl)- N- [(9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]methanimine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccc(cc1)Cl

STK579301
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- 2- methyl- N- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2Nc1ccccc1)C(C)(C)C

STK579304
Synonyms: (5Z)- 3- cyclohexyl- 5- ({3- [2- methyl- 4- (2- methylpropoxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)c1ccccc1)C

STK579307
Synonyms: N- (2- chlorophenyl)- 5,6- dimethylfuro[2,3- d]pyrimidin- 4- amine
Smiles: Clc1ccccc1Nc1ncnc2c1c(C)c(o2)C

STK579315
Synonyms: 1- (1- {6- [(3- chlorophenyl)amino]pyrimidin- 4- yl}- 5- methyl- 1H- pyrazol- 4- yl)ethanone
Smiles: Clc1cccc(c1)Nc1ncnc(c1)n1ncc(c1C)C(=O)C

STK579318
Synonyms: N- [(2- phenylethyl)carbamoyl]- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)NCCc1ccccc1)C

STK849175
Synonyms: 1- (4- methylphenyl)- 4- oxo- N- [4- (piperidin- 1- ylsulfonyl)phenyl]- 1,4- dihydropyridazine- 3- carboxamide
Smiles: O=C(c1nn(ccc1=O)c1ccc(cc1)C)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

STK579330
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- [2- (3,4- dimethoxyphenyl)ethyl]- 4- (4- fluorophenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cc(CCN2C(=O)c3c(C2c2ccc(cc2)F)c([nH]n3)c2cc(Cl)c(cc2O)C)ccc1OC

STK579332
Synonyms: N- cyclopropyl- 2- (5- hydroxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NC1CC1

STK579334
Synonyms: (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)(4- phenoxyphenyl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccc(cc1)Oc1ccccc1

STK579337
Synonyms: N- (2- cyanoethyl)- 4,5,6- trimethoxy- N- methyl- 1H- indole- 2- carboxamide
Smiles: N#CCCN(C(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC)C

STK849178
Synonyms: 2- {3- hydroxy- 4- [4- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]phenoxy}acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1n[nH]cc1c1ccc(cc1)OC

STK849179
Synonyms: 2- benzyl- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1cc(O)n2c(n1)nc(n2)Cc1ccccc1

STK579339
Synonyms: 2- [(7- ethoxy- 4- methylquinazolin- 2- yl)amino]- 5,6- dimethylpyrimidin- 4- ol
Smiles: CCOc1ccc2c(c1)nc(nc2C)Nc1nc(C)c(c(n1)O)C

STK579343
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)Nc1ccccc1C(F)(F)F)C

STK579344
Synonyms: [(5S)- 3- (2- chlorophenyl)- 5- (cyclohexylcarbamoyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccccc1Cl)C(=O)NC1CCCCC1

STK579345
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc2c(c1)OCCO2)C

STK579347
Synonyms: 4- {[4- (2- hydroxyethyl)piperazin- 1- yl]methyl}- 6- methyl- 2H- chromen- 2- one
Smiles: OCCN1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2

STK579349
Synonyms: 5- fluoro- 3- hydroxy- 3- [2- oxo- 2- (pyridin- 3- yl)ethyl]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Fc1ccc2c(c1)C(O)(CC(=O)c1cccnc1)C(=O)N2

STK579351
Synonyms: 3,4,5- trimethoxy- N- (5- oxo- 4,5- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)Nc1cc(=O)[nH]c2n1ncn2

STK849182
Synonyms: 6- methyl- N- [3- (methylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)ccc(c3)C)sc2c1CCCC2

STK579354
Synonyms: 11- (4- chlorophenyl)- 10- methyl- 8- phenyl- 2- (pyridin- 2- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccn1)c1ccccc1

STK849184
Synonyms: ethyl2- (furan- 2- yl)- 7- hydroxy[1,2,4]triazolo[1,5- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)c1cnc2n(c1O)nc(n2)c1ccco1

STK849185
Synonyms: 7- (4- methylphenyl)- 2- (tetrahydrofuran- 2- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)C1CCCO1

STK579357
Synonyms: 3- benzyl- 5- (furan- 2- yl)- 4- imino- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c(=N)n(cn1)Cc1ccccc1

STK579358
Synonyms: N- [4- (acetylamino)phenyl]- 2- [(3,4- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)COc1ccc2c(c1)oc(=O)c(c2C)C

STK579360
Synonyms: 5- methyl- 7- [4- (2- methylprop- 2- en- 1- yl)piperazin- 1- yl]- 3- phenyl- 6- (prop- 2- en- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: C=CCc1c(C)nc2n(c1N1CCN(CC1)CC(=C)C)ncc2c1ccccc1

STK849186
Synonyms: 4- (3- bromophenyl)- 3- (2- hydroxyphenyl)- 5- (3- hydroxypropyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)Br)c([nH]n2)c1ccccc1O

STK579368
Synonyms: 5- [5- (furan- 2- yl)- 3'- (4- methylphenyl)- 1'- phenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1cn(nc1c1ccc(cc1)C)c1ccccc1)c1ccco1

STK849187
Synonyms: 8- (2- methoxynaphthalen- 1- yl)- 3- (4- methoxyphenyl)- 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)CC1c1c(OC)ccc2c1cccc2)c1ccc(cc1)OC

STK579373
Synonyms: 1- (3- fluorophenyl)- 2- (2- hydroxy- 2- phenylethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1cccc(c1)C1N(CC(c2ccccc2)O)C(=O)c2c1c(=O)c1c(o2)cccc1

STK579376
Synonyms: 3- (2- hydroxy- 4- methylphenyl)- N- [(2E)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 1H- pyrazole- 5- carboxamide
Smiles: CC(Cc1n[nH]/c(=N\C(=O)c2[nH]nc(c2)c2ccc(cc2O)C)/s1)C

STK579377
Synonyms: 10- [4- (dimethylamino)phenyl]- 1,3,7,7- tetramethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: CN(c1ccc(cc1)C1OCC(n2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)(C)C)C

STK579379
Synonyms: 3- (4- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl2,2- dimethylpropanoate
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)C(C)(C)C

STK579381
Synonyms: 4- {5- [(E)- (1,3- dihydro- 2H- benzimidazol- 2- ylidenehydrazinylidene)methyl]furan- 2- yl}benzenesulfonamide
Smiles: NS(=O)(=O)c1ccc(cc1)c1ccc(o1)/C=N/N=c/1\[nH]c2c([nH]1)cccc2

STK579382
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 6- (methoxymethyl)pyrimidin- 4- ol
Smiles: COCc1cc(O)nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK579384
Synonyms: N- (4- chlorophenyl)- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK579387
Synonyms: 2- [(6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)methyl]- 9- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: COc1cc2CN(CCc2cc1OC)Cc1cc(=O)n2c(n1)c(C)ccc2

STK579389
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- [2- (phenylcarbamoyl)- 1- benzofuran- 3- yl]- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1)O

STK579391
Synonyms: 7- chloro- 2- [2- (4- methoxyphenyl)ethyl]- 6- methyl- 1- [4- (methylsulfanyl)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)SC)c(=O)c1c(o2)cc(c(c1)Cl)C

STK579393
Synonyms: 2- [(3- chlorophenoxy)methyl]- 5- {[2- (4- methoxyphenyl)ethyl]amino}- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCCc1ccc(cc1)OC)COc1cccc(c1)Cl

STK849188
Synonyms: 3- (4- chlorophenyl)- 5- methyl- 7- (4- methylpiperidin- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CC1CCN(CC1)c1cc(C)nc2n1ncc2c1ccc(cc1)Cl

STK579396
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 4- (4- chlorophenyl)- 7,7- dimethyl- 4,6,7,8- tetrahydroquinazolin- 5- ol
Smiles: Clc1ccc(cc1)C1N=C(Nc2nc3c(o2)cccc3)N=C2C1=C(O)CC(C2)(C)C

STK849192
Synonyms: 2- methyl- N- [2- (morpholin- 4- yl)ethyl]- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCN2CCOCC2)CCCC1

STK579398
Synonyms: 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazol- 1- yl(6- methoxy- 1H- indol- 2- yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCn2c1nc1c2cccc1

STK579399
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 2- ylmethyl)- N'- (1- phenylethyl)ethanediamide
Smiles: O=C(C(=O)NCC1COc2c(O1)cccc2)NC(c1ccccc1)C

STK579402
Synonyms: 2- [2- amino- 5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(3,4- dichlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N

STK579410
Synonyms: 2- (3,4- dichlorophenyl)- 4- [(4- fluorophenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl

STK579413
Synonyms: methylN- [(4- chlorobenzyl)carbamoyl]- D- leucinate
Smiles: COC(=O)[C@H](NC(=O)NCc1ccc(cc1)Cl)CC(C)C

STK579421
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (4- fluorobenzyl)- 4- (3- hydroxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Oc1cccc(c1)C1N(Cc2ccc(cc2)F)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK579426
Synonyms: 4- hydroxy- 8- (2- methoxyphenyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COc1ccccc1n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK579429
Synonyms: 16- (4- methoxyphenyl)- 2,3,4,6,7,11,12,16- octahydro- 1H,10H- [1,4]dioxepino[2',3':6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: COc1ccc(cc1)C1C=C2N(C3=C1C(=O)CCC3)CCc1c2cc2OCCCOc2c1

STK579438
Synonyms: N- (cyclopentylcarbamoyl)- L- valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)NC1CCCC1

STK579439
Synonyms: 1- (5- methyl- 1- {6- [methyl(phenyl)amino]pyrimidin- 4- yl}- 1H- pyrazol- 4- yl)ethanone
Smiles: CN(c1ncnc(c1)n1ncc(c1C)C(=O)C)c1ccccc1

STK579440
Synonyms: 3- [2- (3- ethoxyphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCOc1cccc(c1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK579444
Synonyms: 4- {[(2Z)- 3- (2- methoxy- 5- methylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 4- oxobutanoicacid
Smiles: COc1ccc(cc1N1/C(=N/C(=O)CCC(=O)O)/SC2C1CS(=O)(=O)C2)C

STK579447
Synonyms: 4- (4- chlorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- (2- hydroxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1cc(C)cc(c1O)C

STK579448
Synonyms: 5- [(4- ethenylbenzyl)oxy]- 2- [4- (2- ethoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)C=C

STK849196
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 5- methyl- 3- phenyl- 6- (prop- 2- en- 1- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: C=CCc1c(C)nc2n(c1NCCCn1cncc1)ncc2c1ccccc1

STK579450
Synonyms: 1- cyclododecylethanol
Smiles: CC(C1CCCCCCCCCCC1)O

STK579453
Synonyms: 2- (1,3- benzothiazol- 2- ylamino)- 4- (3- chlorophenyl)- 7,7- dimethyl- 4,6,7,8- tetrahydroquinazolin- 5- ol
Smiles: Clc1cccc(c1)C1N=C(Nc2nc3c(s2)cccc3)N=C2C1=C(O)CC(C2)(C)C

STK579454
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1N)c1n[nH]c(c1)C

STK579457
Synonyms: 2- [5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(4- ethenylbenzyl)oxy]phenol
Smiles: C=Cc1ccc(cc1)COc1ccc(c(c1)O)c1ncncc1c1ccc(c(c1)OC)OC

STK849198
Synonyms: 1- benzyl- N- (4- ethoxyphenyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK579458
Synonyms: 6- hydroxy- 1,3,8,8- tetramethyl- 5- (4- methylphenyl)- 5,7,8,9- tetrahydropyrimido[4,5- b]quinoline- 2,4(1H,3H)- dione
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)n(C)c(=O)n2C)(C)C

STK579463
Synonyms: 5- hydroxy- 2- phenyl- 3- (2- phenylethyl)- 5- (trifluoromethyl)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: O=C1N(CCc2ccccc2)C(=NC1(O)C(F)(F)F)c1ccccc1

STK579467
Synonyms: 3- [(2- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrimidin- 4- yl)sulfanyl]propane- 1,2- diol
Smiles: OCC(CSc1nc(nc2c1CCC2)c1ccccc1)O

STK579468
Synonyms: 4- [(4- ethylpiperazin- 1- yl)methyl]- 6,8- dimethyl- 2H- chromen- 2- one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2C

STK849199
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 4- (4- methoxyphenoxy)butanamide
Smiles: COc1ccc(cc1)OCCCC(=O)/N=c\1/sc2c([nH]1)cccc2

STK849200
Synonyms: 8- (2- aminophenyl)- 1,3,6,7- tetramethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Nc1ccccc1n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C

STK579478
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCCc1ccc(cc1)F)C

STK579479
Synonyms: 2- (tetrahydrofuran- 2- ylmethyl)- 2,3- dihydro- 1H- isoindol- 1- imine
Smiles: N=C1N(CC2CCCO2)Cc2c1cccc2

STK579480
Synonyms: 2- hydroxy- 1- (4- methoxyphenyl)- 6- propyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)OC)O

STK579481
Synonyms: {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}aceticacid
Smiles: COc1ccc(cc1)c1nc(SCC(=O)O)c2c(n1)CC(OC2)(C)C

STK579485
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanamide
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)NCCN1CCOCC1

STK579491
Synonyms: 6- {[(4- methylpyrimidin- 2- yl)sulfanyl]methyl}- 2- [(4- methylquinazolin- 2- yl)amino]pyrimidin- 4- ol
Smiles: Oc1cc(CSc2nccc(n2)C)nc(n1)Nc1nc(C)c2c(n1)cccc2

STK579495
Synonyms: 1- {1- [6- (2,6- dimethylmorpholin- 4- yl)pyrimidin- 4- yl]- 5- methyl- 1H- pyrazol- 4- yl}ethanone
Smiles: CC1OC(C)CN(C1)c1ncnc(c1)n1ncc(c1C)C(=O)C

STK579497
Synonyms: 2- (4- fluorophenyl)- 12- (furan- 2- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: Fc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2ccco2)c2c(O1)cc(cc2)O

STK849202
Synonyms: (5Z)- 3- (4- ethoxyphenyl)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 1,3- thiazolidine- 2,4- dione
Smiles: CCOc1ccc(cc1)N1C(=O)S/C(=C\C=C\c2ccco2)/C1=O

STK579503
Synonyms: N- (pyridin- 3- ylmethyl)- 2- [(3,4,7- trimethyl- 2- oxo- 2H- chromen- 5- yl)oxy]acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)C)NCc1cccnc1

STK579508
Synonyms: 4- {[4- (diphenylmethyl)piperazin- 1- yl]methyl}- 7,8- dimethyl- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)c(C)c(cc2)C

STK579509
Synonyms: 4- {[(E)- (2,4- dimethoxyphenyl)methylidene]amino}- 5- (2- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)ccc1/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK579510
Synonyms: N- cyclohexyl- 1- (4- methoxyphenyl)- 4- oxo- 2- (thiophen- 3- yl)azetidine- 2- carboxamide
Smiles: COc1ccc(cc1)N1C(=O)CC1(C(=O)NC1CCCCC1)c1ccsc1

STK849205
Synonyms: 4- [4- (propan- 2- yl)phenyl]- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 2- amine
Smiles: NC1=NC(c2ccc(cc2)C(C)C)n2c(=N1)[nH]c1c2cccc1

STK579515
Synonyms: 7- benzyl- 5,6- dimethyl- N- [2- (morpholin- 4- yl)ethyl]- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: Cc1c(C)n(c2c1c(NCCN1CCOCC1)ncn2)Cc1ccccc1

STK849207
Synonyms: 4- (3- chlorophenyl)- 3- (2- hydroxyphenyl)- 5- (tetrahydrofuran- 2- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Clc1cccc(c1)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK579525
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- chloro- 4- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK849208
Synonyms: 3- (2- hydroxyphenyl)- 5- propyl- 4- (3,4,5- trimethoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: CCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1ccccc1O

STK579528
Synonyms: 6- [2- (benzyloxy)ethyl]- 7- methyl- 6H- indolo[2,3- b]quinoxaline
Smiles: Cc1cccc2c1n(CCOCc1ccccc1)c1c2nc2c(n1)cccc2

STK579529
Synonyms: 6- chloro- 4- oxo- N- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]- 4H- chromene- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK849209
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (tetrahydrofuran- 2- ylmethyl)benzenesulfonamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)CC1CCCO1

STK849210
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 4- methyl- 6,7- dihydro- 5H- cyclopenta[d]pyrimidin- 2- amine
Smiles: Cc1nc(/N=c/2\sc3c([nH]2)cccc3)nc2c1CCC2

STK579536
Synonyms: 1- {[(2,5- dimethoxyphenyl)amino]methyl}- 1H- indole- 2,3- dione
Smiles: COc1ccc(c(c1)NCN1C(=O)C(=O)c2c1cccc2)OC

STK579538
Synonyms: N- [(2,4- dimethylphenyl)carbamoyl]valine
Smiles: O=C(Nc1ccc(cc1C)C)NC(C(=O)O)C(C)C

STK849213
Synonyms: 3- ethyl- 4- hydroxypyrimido[1,2- a]benzimidazol- 2(1H)- one
Smiles: CCc1c(=O)[nH]c2n(c1O)c1ccccc1n2

STK579543
Synonyms: 3- (2- methoxyphenyl)- 2,5- dimethyl- 7- [4- (2- methylprop- 2- en- 1- yl)piperazin- 1- yl]pyrazolo[1,5- a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCN(CC1)CC(=C)C

STK849216
Synonyms: 8- (3- chlorophenyl)- 1,3,7- trimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C

STK579544
Synonyms: (2Z)- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)- 1- (thiophen- 2- yl)ethanone
Smiles: O=C(c1cccs1)/C=C/1\NCCc2c1cc1OCOc1c2

STK579551
Synonyms: 2- {[3- (dimethylamino)propyl]amino}- 3- (furan- 2- ylmethyl)- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CN(CCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3)C

STK579552
Synonyms: 3- (4- fluorophenoxy)- 5- oxo- 5H- anthra[1,9- cd][1,2]oxazol- 6- yl4- fluorobenzoate
Smiles: Fc1ccc(cc1)OC1=CC(=O)c2c3c1noc3c1c(c2OC(=O)c2ccc(cc2)F)cccc1

STK579553
Synonyms: N- {[1- (2- methoxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]carbonyl}- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)c1cc(n(c1C)c1ccccc1OC)C

STK579560
Synonyms: 3- (4- chlorophenyl)- 7- methyl- 1- [2- (morpholin- 4- yl)ethyl]- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CCN1CCOCC1)c1ccc(cc1)Cl

STK849218
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (tetrahydrofuran- 2- ylmethyl)pyridine- 3- carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1cccnc1)CC1CCCO1

STK579567
Synonyms: 1- (3,4- dimethoxyphenyl)- 5,7- dimethyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK579569
Synonyms: 2- (4- fluorophenyl)- 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Fc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1

STK579570
Synonyms: ethyl1- amino- 5- (2- methylpropyl)- 7,8- dihydro- 6H- cyclopenta[d]furo[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1N)c1CCCc1c(n2)CC(C)C

STK579571
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (3- hydroxypropyl)- 4- (4- methylphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)C)c([nH]n2)c1cc(Cl)c(cc1O)C

STK579572
Synonyms: 5- chloro- 1- (4- methoxyphenyl)- 3,6- dimethyl- 1,7- dihydro- 4H- pyrazolo[3,4- b]pyridin- 4- one
Smiles: COc1ccc(cc1)n1nc(c2c1[nH]c(C)c(c2=O)Cl)C

STK849222
Synonyms: 5- tert- butyl- 3- phenyl- N- (pyridin- 4- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(Nc2ccncc2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK579578
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (naphthalen- 2- yl)ethanone
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccc2c(c1)cccc2

STK579579
Synonyms: 3- {[(Z)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]amino}benzoicacid
Smiles: OC1=NC(=O)/C(=C\Nc2cccc(c2)C(=O)O)/C(=N1)O

STK579580
Synonyms: 6- hydroxy- 3- methyl- 7- (2- methylprop- 2- en- 1- yl)- 8- (morpholin- 4- ylmethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(=C)Cn1c(CN2CCOCC2)nc2c1c(O)nc(=O)n2C

STK579581
Synonyms: N- [3- (4- fluorophenyl)- 3- (furan- 2- yl)propyl]- 3- (2- methyl- 1H- benzimidazol- 1- yl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCCC(c1ccco1)c1ccc(cc1)F

STK579582
Synonyms: 4- hydroxy- 1,7- dimethyl- 8- (4- methylbenzyl)- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Cc1ccc(cc1)Cn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK579585
Synonyms: 4- {[(2Z)- 3- (3- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 4- oxobutanoicacid
Smiles: COc1cccc(c1)N1/C(=N/C(=O)CCC(=O)O)/SC2C1CS(=O)(=O)C2

STK849224
Synonyms: 2- (2- methoxyphenoxy)- N- [3- (4- methylphenyl)- 1,2- oxazol- 5- yl]acetamide
Smiles: COc1ccccc1OCC(=O)Nc1onc(c1)c1ccc(cc1)C

STK579589
Synonyms: tert- butyl(3S)- 3- ({(2S)- 2- [(4- methoxyphenyl)carbamoyl]pyrrolidin- 1- yl}carbonyl)- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: COc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK579590
Synonyms: N- [2- (1H- indol- 3- yl)ethyl]- 4- [(Z)- (3- methyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]benzamide
Smiles: S=C1S/C(=C\c2ccc(cc2)C(=O)NCCc2c[nH]c3c2cccc3)/C(=O)N1C

STK579591
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- [5- (2- methylpropyl)- 1,3,4- thiadiazol- 2- yl]- 1H- pyrazole- 3- carboxamide
Smiles: CC(Cc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)C

STK579594
Synonyms: [4- (2- fluorophenyl)piperazin- 1- yl][4- methyl- 3- (1H- pyrrol- 1- yl)phenyl]methanone
Smiles: O=C(c1ccc(c(c1)n1cccc1)C)N1CCN(CC1)c1ccccc1F

STK849225
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 1- (3- methylphenyl)- 4- oxo- 1,4- dihydropyridazine- 3- carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK579596
Synonyms: 8- (3- chlorophenyl)- 10- methyl- 11- phenyl- 2- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1ccccc1)nc(n3)c1cccnc1)C

STK849226
Synonyms: 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- ol
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2O)CCC1

STK579601
Synonyms: N- (4- {[(Z)- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)methyl]sulfonyl}phenyl)acetamide
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccc(cc1)NC(=O)C

STK579605
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- benzylpiperazin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carboxylicacid
Smiles: OC(=O)c1nnn(c1CN1CCN(CC1)Cc1ccccc1)c1nonc1N

STK801761
Synonyms: 1- [2- (ethylsulfonyl)ethyl]- 2- methyl- 5- nitro- 1H- imidazole
Smiles: CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]

STK579612
Synonyms: 2- [2- amino- 5- (4- chlorophenyl)pyrimidin- 4- yl]- 5- [(2- fluorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1F)N

STK849231
Synonyms: (2Z)- 2- (furan- 2- ylmethylidene)- 6- methoxy- 7- methyl- 1- benzofuran- 3(2H)- one
Smiles: COc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O

STK849232
Synonyms: N- cyclopentyl- 2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NC2CCCC2)n2c(n1)c(c1ccccc1)c(n2)C

STK849233
Synonyms: 7- [2- (4- bromophenyl)- 2- oxoethoxy]- 3- (2- methoxyphenyl)- 4H- chromen- 4- one
Smiles: COc1ccccc1c1coc2c(c1=O)ccc(c2)OCC(=O)c1ccc(cc1)Br

STK579623
Synonyms: (3S)- N- cyclopropyl- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)NC1CC1

STK579627
Synonyms: 2- (methoxymethyl)- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- ol
Smiles: COCc1nn2c(c1c1ccccc1)nc1c(c2O)CCCC1

STK579628
Synonyms: (3R)- 2,2- dimethyl- N- [(2S)- 3- methyl- 1- oxo- 1- (piperidin- 1- yl)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)N1CCCCC1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK579630
Synonyms: 12- (furan- 2- yl)- 2- (2- methoxyphenyl)- 9,9- dimethyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: COc1ccccc1c1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CC(CC2=O)(C)C

STK579632
Synonyms: (4Z)- 4- [(4- methylphenyl)imino]- 6- [(4- methylpiperazin- 1- yl)methyl]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: CN1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2)C)/[nH]1

STK579634
Synonyms: 6- (3,4- dimethoxyphenyl)- 1,3- dimethyl- 5- (4- methylphenyl)- 1H- pyrrolo[3,4- d]pyrimidine- 2,4(3H,6H)- dione
Smiles: COc1cc(ccc1OC)n1cc2c(c1c1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STK579638
Synonyms: N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}- 1- (4- fluorophenyl)cyclopentanecarboxamide
Smiles: Fc1ccc(cc1)C1(CCCC1)C(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK849237
Synonyms: 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- (thiophen- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCCO2)c1cccs1

STK579640
Synonyms: 7- chloro- 2- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (2- fluorophenyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cc(c(c1)Cl)C

STK579642
Synonyms: 4- ({[(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)O)C(=O)O

STK579643
Synonyms: 6- ethyl- 2- methyl- 4- (4- methylphenyl)pyridazino[3',4':4,5]pyrimido[1,6- a]benzimidazol- 1(4H)- one
Smiles: CCc1nc2n(nc(c(=O)c2c2n1c1ccccc1n2)C)c1ccc(cc1)C

STK579644
Synonyms: ethyl(8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetate
Smiles: CCOC(=O)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK579645
Synonyms: 7- benzyl- 10- fluoro- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: Fc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1ccccc1

STK849239
Synonyms: 2- ({4- [4- (benzyloxy)phenyl]- 3- cyano- 6- hydroxy- 4,5- dihydropyridin- 2- yl}sulfanyl)- N- (2- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)N=C(CC1c1ccc(cc1)OCc1ccccc1)O

STK579654
Synonyms: 4- [(3,5- dimethylpiperidin- 1- yl)methyl]- 7,8- dihydrocyclopenta[g]chromen- 2(6H)- one
Smiles: CC1CN(CC(C1)C)Cc1cc(=O)oc2c1cc1CCCc1c2

STK579655
Synonyms: 2- chloro- 5- [3- (6- hydroxypyridazin- 3- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]benzoicacid
Smiles: Oc1ccc(nn1)c1n[nH]c(=S)n1c1ccc(c(c1)C(=O)O)Cl

STK579656
Synonyms: 7,7- dimethyl- 2- oxo- N- phenylbicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)CC1=O)Nc1ccccc1

STK579658
Synonyms: N- (4- methoxyphenyl)- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK579660
Synonyms: 2- {[3- (4- bromophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}propanoicacid
Smiles: OC(=O)C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Br)C)C

STK849242
Synonyms: 7- (2- ethyl- 1H- imidazol- 1- yl)- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CCc1nccn1c1cc(nc2n1ncc2c1ccccc1)C(C)C

STK849244
Synonyms: methyl4- [(4- ethoxyphenyl)carbamoyl]- 6- hydroxy- 2- methyl- 4,5- dihydropyridine- 3- carboxylate
Smiles: CCOc1ccc(cc1)NC(=O)C1CC(=NC(=C1C(=O)OC)C)O

STK849246
Synonyms: 6- methyl- N- [(2Z)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]nc(s1)C

STK579665
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- propoxy- N- (thiophen- 2- ylmethyl)benzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1cccs1

STK579667
Synonyms: N- (1,1- dioxido- 2,3- dihydrothiophen- 3- yl)- 2- [(5Z)- 5- (2- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2F)/C1=O)NC1C=CS(=O)(=O)C1

STK579670
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 2- (6,7,8,9- tetrahydrodibenzo[b,d]furan- 2- yloxy)acetamide
Smiles: O=C(COc1ccc2c(c1)c1CCCCc1o2)NCCN1CCOCC1

STK579672
Synonyms: (4Z)- 4- {[(3- acetylphenyl)amino]methylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=C\Nc1cccc(c1)C(=O)C)c1ccccc1

STK849249
Synonyms: 1- benzyl- 2- [(4,4- dimethyl- 1,3- oxazolidin- 3- yl)carbonyl]- 7- methylpyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)N1COCC1(C)C)Cc1ccccc1

STK579677
Synonyms: 1- (3- methoxyphenyl)- 2- (pyridin- 4- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(Cc2ccncc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK579683
Synonyms: (5E)- 2- hydroxy- 5- {1- [2- (naphthalen- 1- yl)hydrazinyl]ethylidene}pyrimidine- 4,6(1H,5H)- dione
Smiles: OC1=NC(=O)/C(=C(/NNc2cccc3c2cccc3)\C)/C(=O)N1

STK579684
Synonyms: N- [(2E)- 3- (4- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 4- phenylbutanamide
Smiles: COc1ccc(cc1)N1/C(=N\C(=O)CCCc2ccccc2)/SC2C1CS(=O)(=O)C2

STK579686
Synonyms: 6- cyclopentyl- 2- hydroxy- 1- (2- methylphenyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCC1)c1ccccc1C

STK579690
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)c1cccc2c1c1ccccc1C2=O)C

STK579691
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- phenylbenzenesulfonamide
Smiles: O=c1[nH]c2c(cc1CN(S(=O)(=O)c1ccccc1)c1ccccc1)cccc2C

STK579695
Synonyms: 4- (4- chlorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- (3- hydroxypropyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1cc(C)cc(c1O)C

STK579696
Synonyms: 5- [(4- methoxybenzyl)amino]- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: COc1ccc(cc1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1

STK579699
Synonyms: N- [(2- hydroxyquinolin- 4- yl)methyl]- N- methylbenzamide
Smiles: Oc1cc(CN(C(=O)c2ccccc2)C)c2c(n1)cccc2

STK579707
Synonyms: methylN- (benzylcarbamoyl)- D- leucinate
Smiles: COC(=O)[C@H](NC(=O)NCc1ccccc1)CC(C)C

STK849254
Synonyms: N- ethyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: CCN(S(=O)(=O)c1ccccc1)Cc1cc2ccccc2[nH]c1=O

STK579709
Synonyms: (5E)- 2- hydroxy- 1- (4- methoxyphenyl)- 5- (1- {[2- (piperazin- 1- yl)ethyl]amino}ethylidene)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C(\NCCN2CCNCC2)/C)/C1=O)O

STK579710
Synonyms: N- cyclopropyl- 2- [3- (4- fluorophenyl)- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)NC1CC1

STK579713
Synonyms: 4- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]methyl}- 6,7- dimethyl- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc(c(c2)C)C

STK579715
Synonyms: (2Z)- 2- [(2E)- benzylidenehydrazinylidene]- N- (4- ethoxyphenyl)- 4- hydroxy- 5,6- dihydro- 2H- 1,3- thiazine- 6- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)C1CC(=N/C(=N/N=C/c2ccccc2)/S1)O

STK579716
Synonyms: methyl(1,1- dioxidotetrahydrothiophen- 3- yl)methylcarbamodithioate
Smiles: CSC(=S)N(C1CCS(=O)(=O)C1)C

STK849255
Synonyms: 3- (2- hydroxyphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4- [4- (methylsulfanyl)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O

STK849256
Synonyms: 8- (3,4- dimethylphenyl)- 3- (2- methoxyethyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(c(c1)C)C)C

STK579723
Synonyms: 1- [2,10- di(furan- 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)c1ccco1

STK579728
Synonyms: 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- (phenylsulfonyl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CS(=O)(=O)c1ccccc1

STK579730
Synonyms: 2- {[4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- yl]amino}ethanol
Smiles: OCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C

STK849259
Synonyms: N- cyclopentyl- 3- (2- methoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NC1CCCC1

STK849260
Synonyms: N- benzyl- 3- (4- chlorophenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NCc1ccccc1

STK579741
Synonyms: 7- (4- phenylpiperazin- 1- yl)- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 5- one
Smiles: O=c1cc(nc2n1CCS2)N1CCN(CC1)c1ccccc1

STK579742
Synonyms: 5- benzyl- 3- (2- hydroxy- 3,5- dimethylphenyl)- 4- (3- hydroxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK849261
Synonyms: 7- [(2- chlorobenzyl)sulfanyl]- 2- hydroxy- 3- phenylpyrimido[4,5- d]pyrimidin- 4(3H)- one
Smiles: Clc1ccccc1CSc1ncc2c(n1)nc(n(c2=O)c1ccccc1)O

STK849262
Synonyms: 3- [(2E)- 2- (4- hydroxy- 3,5- dimethoxybenzylidene)hydrazinyl]- 6- methyl- 1,2,4- triazin- 5- ol
Smiles: COc1cc(/C=N/Nc2nnc(c(n2)O)C)cc(c1O)OC

STK579749
Synonyms: (2R)- 2- amino- 3- methyl- N'- [(E)- quinoxalin- 5- ylmethylidene]butanehydrazide(non- preferredname)
Smiles: CC([C@H](C(=O)N/N=C/c1cccc2c1nccn2)N)C

STK579751
Synonyms: 9- (4- fluorophenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)F)C1=C(O)CCCC1=N2

STK579753
Synonyms: 2- [4- (2- bromophenoxy)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(4- fluorobenzyl)oxy]phenol
Smiles: Fc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]nc(c1Oc1ccccc1Br)C

STK579755
Synonyms: propan- 2- yl{[5- (4- methoxyphenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)OC(C)C

STK579762
Synonyms: N- {[3- (1,3- benzoxazol- 2- yl)phenyl]carbamoyl}- L- phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1cccc(c1)c1nc2c(o1)cccc2

STK579765
Synonyms: 5- tert- butyl- 7- [4- (4- chlorobenzyl)piperazin- 1- yl]- 3- (4- chlorophenyl)pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C

STK579767
Synonyms: 7- chloro- 1- (3- ethoxy- 4- hydroxyphenyl)- 2- (3- hydroxypropyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK849266
Synonyms: 6- (3- ethoxy- 4- hydroxyphenyl)- N- (4- fluorophenyl)- 2- hydroxy- 4- methyl- 1,6- dihydropyrimidine- 5- carboxamide
Smiles: CCOc1cc(ccc1O)C1NC(=NC(=C1C(=O)Nc1ccc(cc1)F)C)O

STK579773
Synonyms: 3- {(3E)- 2- (4- fluorophenyl)- 3- [hydroxy(4- methylphenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}benzoicacid
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STK579779
Synonyms: (E)- 1- (2- methoxyphenyl)- N- [(9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]methanimine
Smiles: COc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C

STK579780
Synonyms: 9- (4- methylphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Cc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1ncn2

STK579782
Synonyms: 4- (3,4- dichlorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- (3- hydroxypropyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)Cl)Cl)c([nH]n2)c1cc(C)cc(c1O)C

STK849267
Synonyms: 6,8- dimethyl- 4- oxo- N- {3- [(pyridin- 3- ylmethyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2

STK579787
Synonyms: (2Z)- 1- [4- (azepan- 1- ylsulfonyl)phenyl]- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)ethanone
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)/C=C/1\NCCc2c1cc1OCOc1c2

STK849268
Synonyms: N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]- 2- (4- nitrophenoxy)acetamide
Smiles: COc1ccc(cc1OC)c1nonc1NC(=O)COc1ccc(cc1)[N+](=O)[O-]

STK579790
Synonyms: 7- [2- (1,3- benzoxazol- 2- ylsulfanyl)ethyl]- 8- (4- ethylpiperazin- 1- yl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(O)nc(=O)n2C

STK849269
Synonyms: ethyl2- {[(Z)- (3- methyl- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene)methyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C\1/C(=NN(C1=O)c1ccccc1)C

STK579792
Synonyms: ethyl2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 4- (2- ethylpiperidin- 1- yl)pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1N1CCCCC1CC)n1nc(cc1C)C

STK579794
Synonyms: 2- [4- (4- chlorophenyl)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(4- nitrobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK579796
Synonyms: 5- tert- butyl- N- (4- ethoxyphenyl)- 2- methyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCOc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C

STK579802
Synonyms: 7- (2- chlorophenyl)- 3- (pyridin- 4- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1ccncc1

STK579804
Synonyms: 4- [2- (propan- 2- yl)phenoxy][1,2,4]triazolo[4,3- a]quinoxaline
Smiles: CC(c1ccccc1Oc1nc2ccccc2n2c1nnc2)C

STK849270
Synonyms: N- (5- chloro- 2,4- dimethoxyphenyl)- 2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetamide
Smiles: COc1cc(OC)c(cc1NC(=O)COc1ccc2c(c1)oc(=O)cc2C)Cl

STK579805
Synonyms: N,N- dimethylfuro[2,3- b]quinoxaline- 3- carboxamide
Smiles: CN(C(=O)c1coc2c1nc1ccccc1n2)C

STK579810
Synonyms: 2- (4- ethoxyphenyl)- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK579811
Synonyms: 2- (2- hydroxypyrimido[1,2- a]benzimidazol- 4- yl)- 1H- isoindole- 1,3(2H)- dione
Smiles: Oc1cc(N2C(=O)c3c(C2=O)cccc3)n2c(n1)nc1c2cccc1

STK579813
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 8- (morpholin- 4- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCOCC1)COc1cccc(c1)C

STK579817
Synonyms: 7- methyl- 2- [5- (2- methylpropyl)- 1,3,4- thiadiazol- 2- yl]- 1- (4- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(Cc1nnc(s1)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)C)C

STK579818
Synonyms: 5- methyl- 7- (2- methyl- 1H- imidazol- 1- yl)- 3- phenyl- 2- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nc2c(c3ccccc3)c(nn2c(c1)n1ccnc1C)C(F)(F)F

STK579825
Synonyms: 2- (furan- 2- yl)- 10- methyl- 11- (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)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccco1)c1ccccc1

STK849275
Synonyms: 2- methoxyethyl5- [(cyclopropylcarbonyl)oxy]- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)C1CC1)C

STK579833
Synonyms: 2- hydroxy- 5- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1c1ccc(c(c1)C(=O)O)O

STK579834
Synonyms: 3- (2- hydroxy- 3,5- dimethylphenyl)- 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)c1cc(C)cc(c1O)C

STK579835
Synonyms: 6- cyclopentyl- 1- (pyridin- 3- ylmethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: O=c1nc(S)n(c2c1CN(CN2)C1CCCC1)Cc1cccnc1

STK579840
Synonyms: N- {3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]propanoyl}- D- alanine
Smiles: O=C(N[C@@H](C(=O)O)C)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK579847
Synonyms: 6- hydroxy- 3- phenyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1[nH]cn2)c1ccccc1

STK579851
Synonyms: 7- (2- methoxyethyl)2- methyl5- hydroxyquinoxalino[2',3':4,5]pyrrolo[1,2- a]quinazoline- 2,7- dicarboxylate
Smiles: COCCOC(=O)c1c2nc(O)c3c(n2c2c1nc1ccccc1n2)cc(cc3)C(=O)OC

STK579854
Synonyms: 7- (2- methylphenyl)- 2- (thiophen- 2- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nc(n1)c1cccs1

STK579859
Synonyms: N- butyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline- 8(7H)- carbothioamide
Smiles: CCCCNC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

STK579860
Synonyms: N- [(2E)- 4,6- dimethylquinazolin- 2(1H)- ylidene]- 5- (propan- 2- yl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)C(C)C)/[nH]2

STK579867
Synonyms: N- (2- methoxyethyl)- 2,2- dimethyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: COCCN(C(=O)C(C)(C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK579869
Synonyms: 2- methyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- ol
Smiles: Cc1nn2c(c1)nc1c(c2O)CCCC1

STK849279
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 5- cyclopropyl- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)C1CC1)N/N=C/c1ccccc1Cl

STK579872
Synonyms: (2E)- 3- (2,4- dichlorophenyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- N- [4- (propan- 2- yl)benzyl]prop- 2- enamide
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C

STK579877
Synonyms: N- {[4- (trifluoromethoxy)phenyl]carbamoyl}- L- phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1ccc(cc1)OC(F)(F)F

STK579880
Synonyms: 3- amino- 6- benzyl- 4- (trifluoromethyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: NC(=O)c1sc2c(c1N)c(cc(n2)Cc1ccccc1)C(F)(F)F

STK579881
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)cc2c1ccccc1)NCCN1CCOCC1

STK579882
Synonyms: 3- (4- fluorophenyl)- 2- methyl- 4H- thiochromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Fc1ccc(cc1)n1c(C)nc2c(c1=O)c(=O)c1c(s2)cccc1

STK579886
Synonyms: (5E)- 2,6- dihydroxy- 5- [(6- hydroxy- 4- oxo- 4H- chromen- 3- yl)methylidene]pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C/c2coc3c(c2=O)cc(cc3)O)/C(=N1)O

STK849284
Synonyms: 7- (pyridin- 3- yl)- 9- (trifluoromethyl)thieno[2,3- b:4,5- b']dipyridine- 2,4- diol
Smiles: Oc1cc(O)c2c(n1)c1c(s2)nc(cc1C(F)(F)F)c1cccnc1

STK579890
Synonyms: 4- hydroxy- 8- (4- methoxyphenyl)- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COc1ccc(cc1)n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK579891
Synonyms: (4E)- 2- (3- chlorophenyl)- 4- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)isoquinoline- 1,3(2H,4H)- dione
Smiles: Clc1cccc(c1)N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2

STK579892
Synonyms: 6- chloro- 2- oxo- 4- propyl- 2H- chromen- 7- ylN- [(4- methylphenyl)sulfonyl]- L- valinate
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C

STK579895
Synonyms: N- benzyl- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccccc1

STK579901
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (furan- 2- ylmethyl)- 4- (3- hydroxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Oc1cccc(c1)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK579906
Synonyms: N- [6- chloro- 3- (4- methylphenyl)- 4- oxo- 4H- chromen- 2- yl]furan- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c(NC(=O)c2ccco2)oc2c(c1=O)cc(cc2)Cl

STK579907
Synonyms: 6- [(2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)amino]hexanoicacid
Smiles: OC(=O)CCCCCNc1nc(nc2c1oc1c2cccc1)c1ccccc1

STK849287
Synonyms: 2,5- dimethyl- 3- (4- methylphenyl)- N- [2- (morpholin- 4- yl)ethyl]pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NCCN1CCOCC1

STK579912
Synonyms: N'- {(E)- [4,6- dioxo- 2- sulfanyl- 1- (3,4,5- trimethoxyphenyl)- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}benzohydrazide
Smiles: COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S

STK579917
Synonyms: 7- [2- (1,3- benzoxazol- 2- ylsulfanyl)ethyl]- 6- hydroxy- 3- methyl- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(O)nc(=O)n2C

STK849288
Synonyms: 4- (3- chloro- 2- methylphenyl)- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1C)n1c(=S)[nH]nc1c1ccncc1

STK579921
Synonyms: 8- (4- methoxyphenyl)- 3,4a,7a,8- tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3- d][1,3]thiazole- 2,5,7(6H)- trione
Smiles: COc1ccc(cc1)C1C2C(=O)NC(=O)C2Sc2c1sc(=O)[nH]2

STK579924
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 9- (2,3,4- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1c(OC)c(OC)ccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1Cl

STK579926
Synonyms: 6- {[(4- methylphenyl)sulfanyl]methyl}- 2- (4- methylpiperazin- 1- yl)pyrimidin- 4- ol
Smiles: CN1CCN(CC1)c1nc(CSc2ccc(cc2)C)cc(n1)O

STK579928
Synonyms: 6,8- dichloro- 3- (ethylsulfanyl)[1,2,4]triazolo[4,3- a]pyridine
Smiles: CCSc1nnc2n1cc(Cl)cc2Cl

STK579929
Synonyms: 5- (4- fluorophenyl)- 4- {[(E)- pyridin- 3- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccnc1

STK579930
Synonyms: 5- (2- chloro- 6- fluorobenzyl)- N- {2- [4- (4- methoxyphenyl)piperazin- 1- yl]ethyl}- 1,3,4- oxadiazole- 2- carboxamide
Smiles: COc1ccc(cc1)N1CCN(CC1)CCNC(=O)c1nnc(o1)Cc1c(F)cccc1Cl

STK579931
Synonyms: N- [(2E)- 5- {[2- (1,2- dihydroacenaphthylen- 5- ylamino)- 2- oxoethyl]sulfanyl}- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- phenylpropanamide
Smiles: O=C(Nc1ccc2c3c1cccc3CC2)CSc1n[nH]/c(=N\C(=O)CCc2ccccc2)/s1

STK579933
Synonyms: 1,3- dimethyl- 5- phenyl- 10- [(E)- 2- phenylethenyl]- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: O=c1n(C)c(=O)c2c(n1C)c1C(OCCn1c2c1ccccc1)/C=C/c1ccccc1

STK849292
Synonyms: methyl2- amino- 1- butyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC

STK849294
Synonyms: 5- (4- chlorophenyl)- 7- hydroxy- 1- methyl- 2- (methylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(1H)- one
Smiles: CSc1nc(=O)c2c(n1C)N=C(CC2c1ccc(cc1)Cl)O

STK849295
Synonyms: 1- benzyl- 4- oxo- N- (pyridin- 3- yl)- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)Nc1cccnc1

STK579942
Synonyms: N'- [(E)- (6- chloro[1,3]dioxolo[4,5- g]quinolin- 7- yl)methylidene]pyridine- 4- carbohydrazide
Smiles: Clc1nc2cc3OCOc3cc2cc1/C=N/NC(=O)c1ccncc1

STK849296
Synonyms: 2- {[4- (2- methoxyphenyl)piperazin- 1- yl]carbonyl}- 6,8- dimethyl- 4H- chromen- 4- one
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C

STK579945
Synonyms: 2- (3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)- N- (2- phenylethyl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)NCCc1ccccc1

STK579950
Synonyms: N'- [2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- phenylpyrimidin- 4- yl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1cc(nc(n1)n1nc(cc1C)C)c1ccccc1)C

STK579951
Synonyms: (5- chloro- 1H- indol- 2- yl)[4- (3- methoxyphenyl)piperazin- 1- yl]methanone
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl

STK579952
Synonyms: 5- [2- (3,4- dimethoxyphenyl)ethyl]- 4- (4- fluorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1cc(C)cc(c1O)C

STK579958
Synonyms: 7- ethyl- N~5~- (furan- 2- ylmethyl)- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridine- 1,5- diamine
Smiles: CCN1CCc2c(C1)c(NCc1ccco1)nc1c2c(N)n[nH]1

STK579959
Synonyms: 7- chloro- 1- (4- fluorophenyl)- 2- (4- methylpyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc(cc1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK579963
Synonyms: 2- (7,8- dimethoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 4- ylmethyl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NCc1ccncc1

STK579964
Synonyms: 4- (4- methoxyphenyl)- 3- [(2- methylbenzyl)sulfanyl]- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1ccccc1C)COc1ccc(cc1)C

STK579967
Synonyms: 1- {[5- (4- fluorophenyl)- 3- (3- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methyl}- 1H- indole- 2,3- dione
Smiles: COc1cccc(c1)C1=NN(C(C1)c1ccc(cc1)F)CN1c2ccccc2C(=O)C1=O

STK579971
Synonyms: N- [2- (4- chlorophenyl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl

STK849298
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 5- methyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2NCCCn1cncc1

STK579974
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- [4- (morpholin- 4- ylsulfonyl)phenyl]- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1cc([nH]n1)c1cc(C)ccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK579981
Synonyms: (5E)- 3- (3- chlorophenyl)- 2- hydroxy- 5- {[1- (4- methoxyphenyl)- 1H- pyrrol- 2- yl]methylidene}- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1ccc(cc1)n1cccc1/C=C\1/N=C(N(C1=O)c1cccc(c1)Cl)O

STK579982
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C)C

STK579984
Synonyms: 4- chloro- N- [(2- hydroxyquinolin- 4- yl)methyl]- N- (4- methylphenyl)benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccc(cc1)Cl)Cc1cc(O)nc2c1cccc2

STK579987
Synonyms: (6E)- 6- [2- (4- methylphenyl)hydrazinylidene]- 6- (pyridin- 2- yl)hexanoicacid
Smiles: OC(=O)CCCC/C(=N\Nc1ccc(cc1)C)/c1ccccn1

STK579989
Synonyms: 10- methyl- 2- (3- methylphenyl)- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1cccc(c1)c1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)n(nc2C)c1ccccc1

STK579990
Synonyms: 1- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 7- chloro- 2- (2- hydroxyethyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK579991
Synonyms: N- (2- benzyl- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)- 2- methylbenzamide
Smiles: Oc1cc(NC(=O)c2ccccc2C)n2c(n1)nc(n2)Cc1ccccc1

STK849302
Synonyms: 2- {2- [4- (1- phenylethyl)- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 3- yl]ethyl}phthalazin- 1(2H)- one
Smiles: S=c1[nH]nc(n1C(c1ccccc1)C)CCn1ncc2c(c1=O)cccc2

STK579996
Synonyms: 6- chloro- N- [4- (difluoromethoxy)phenyl]- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: FC(Oc1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C)F

STK579997
Synonyms: 2- [(4,7- dimethyl- 2- oxo- 2H- chromen- 5- yl)oxy]- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)cc(=O)o2)NCc1ccccn1

STK579999
Synonyms: 3'- (4- methoxyphenyl)- 2- (methylsulfonyl)- 1'- phenyl- 5- (thiophen- 2- yl)- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazole
Smiles: COc1ccc(cc1)c1nn(cc1C1CC(=NN1S(=O)(=O)C)c1cccs1)c1ccccc1

STK580000
Synonyms: N- [5- hydroxy- 2- (4- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- methylpropanamide
Smiles: O=C(C(C)C)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C

STK580001
Synonyms: N- ({(2E)- 2- [(2E)- (2- hydroxybenzylidene)hydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- yl}acetyl)glycine
Smiles: O=C(CC1S/C(=N/N=C/c2ccccc2O)/NC1=O)NCC(=O)O

STK580006
Synonyms: 1- (3- chlorophenyl)- 3- (7- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 1- yl)urea
Smiles: O=C(NN1CCc2c1nc1cc(C)ccc1c2)Nc1cccc(c1)Cl

STK580010
Synonyms: 4- amino- 3- methyl- N- [3- (methylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxamide
Smiles: CNC(=O)c1c(sc2c1CCCC2)NC(=O)c1sc(=S)n(c1N)C

STK580012
Synonyms: ethyl[5- oxo- 2- phenyl- 1- (pyridin- 3- ylmethyl)- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)Cc1cccnc1)c1ccccc1)C(F)(F)F

STK580018
Synonyms: (2Z)- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)- N- (furan- 2- ylmethyl)ethanamide
Smiles: O=C(/C=C/1\NCCc2c1cc1OCOc1c2)NCc1ccco1

STK849305
Synonyms: 4- {[(1E,2Z)- 2- chloro- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK580022
Synonyms: 2- [(2E)- 2- (5- cyano- 6- hydroxy- 4- methyl- 2- oxopyridin- 3(2H)- ylidene)hydrazinyl]benzoicacid
Smiles: N#CC1=C(C)/C(=N\Nc2ccccc2C(=O)O)/C(=O)N=C1O

STK580023
Synonyms: methylN- {[4- (acetylamino)phenyl]carbamoyl}- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)NC(=O)C)CC(C)C

STK580024
Synonyms: 4- {[(3Z)- 8- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 4- oxobutanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1c(C)cccc1c2

STK580026
Synonyms: 4- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1c1ccc(cc1)C(=O)O

STK580034
Synonyms: 6- (2- chlorobenzyl)- 5- methyl- 2- (trifluoromethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nc2nc(nn2c(c1Cc1ccccc1Cl)O)C(F)(F)F

STK580035
Synonyms: methylN- ({5- [(furan- 2- ylcarbonyl)amino]- 2- methoxyphenyl}carbamoyl)- L- alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc(ccc1OC)NC(=O)c1ccco1)C

STK580038
Synonyms: 3- cyclopentyl- N- [(2Z)- 3- (2- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: COc1ccccc1CN1/C(=N/C(=O)CCC2CCCC2)/SC2C1CS(=O)(=O)C2

STK580046
Synonyms: N- (2,6- dimethylphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK580049
Synonyms: (3- ethoxy- 3- oxopropyl)(1- hydroxy- 1- phenylethyl)phosphinicacid
Smiles: CCOC(=O)CCP(=O)(C(c1ccccc1)(O)C)O

STK580055
Synonyms: 2- (4- methoxyphenyl)- 5,6,10,11- tetrahydro- 9H- [1,4]dioxepino[2,3- g]pyrrolo[2,1- a]isoquinoline
Smiles: COc1ccc(cc1)c1cn2c(c1)c1cc3OCCCOc3cc1CC2

STK849310
Synonyms: 4- [(E)- (3- oxo- 1- benzofuran- 2(3H)- ylidene)methyl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)/C=C\1/Oc2c(C1=O)cccc2

STK580056
Synonyms: N- [(2E)- 6- (acetylamino)- 1,3- benzothiazol- 2(3H)- ylidene]- 3,6- dichloro- 1- benzothiophene- 2- carboxamide
Smiles: CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1sc3c(c1Cl)ccc(c3)Cl)/[nH]2

STK580060
Synonyms: (2S)- N- (4- methoxyphenyl)- 3- methyl- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C(C)C

STK580062
Synonyms: 10- (4- hydroxyphenyl)- 1,3,7,7- tetramethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Oc1ccc(cc1)C1OCC(n2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)(C)C

STK580064
Synonyms: 4- {[4- (2- methoxyphenyl)piperazin- 1- yl]methyl}- 7,8- dihydrocyclopenta[g]chromen- 2(6H)- one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1cc1CCCc1c2

STK580065
Synonyms: 5- (2- hydroxy- 3,5- dimethylphenyl)- N- [4- (morpholin- 4- ylsulfonyl)phenyl]- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)O

STK849312
Synonyms: ethyl4- [(5,7,8- trimethyl- 2- oxo- 2H- chromen- 4- yl)methyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1cc(=O)oc2c1c(C)cc(c2C)C

STK580066
Synonyms: 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 2- (pyridin- 3- yl)- 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)c1cccnc1)c1ccccc1

STK580071
Synonyms: 8- (3- chlorophenyl)- 1- methyl- 3- propyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl

STK580073
Synonyms: 3- {[(4- fluoro- 3- methylphenyl)sulfonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1ccc(c(c1)C)F)c([nH]2)C(=O)O

STK580075
Synonyms: N- [(4- ethoxyphenyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)OCC

STK580076
Synonyms: 9,10- dimethoxy- 2- ({2- [4- (phenylcarbonyl)piperazin- 1- yl]ethyl}amino)- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(NCCN2CCN(CC2)C(=O)c2ccccc2)nc1=O

STK580082
Synonyms: N'- [5,6- di(furan- 2- yl)furo[2,3- d]pyrimidin- 4- yl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1)C

STK849314
Synonyms: 1,3- dimethyl- 7- {2- [(4- methylpyrimidin- 2- yl)sulfanyl]ethyl}- 8- (piperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

STK849315
Synonyms: 3- (furan- 2- ylmethyl)- 6- oxo- 8- (3,4,5- trimethoxyphenyl)- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(OC)c(c(c1)OC)OC)Cc1ccco1

STK580084
Synonyms: {(5S)- 5- [(4- methoxyphenyl)carbamoyl]- 3- [(E)- 2- phenylethenyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: COc1ccc(cc1)NC(=O)[C@@]1(ON=C(C1)/C=C/c1ccccc1)CC(=O)O

STK849316
Synonyms: 1- benzyl- 7- methyl- 4- oxo- N- propyl- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK849317
Synonyms: N- (3,4- dimethoxybenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: COc1cc(ccc1OC)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=O)(=O)C1

STK580094
Synonyms: N'- (2- ethyl- 5- methyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- yl)- N,N- dimethylethane- 1,2- diamine
Smiles: CCc1nn2c(c1c1ccccc1)nc(cc2NCCN(C)C)C

STK580098
Synonyms: 4- [(3aR,6aS)- 3- (4- chlorophenyl)- 4,6- dioxo- 3a,4,6,6a- tetrahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)Cl

STK580099
Synonyms: trans- 4- ({[N- (tert- butoxycarbonyl)- L- phenylalanyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)O

STK580100
Synonyms: 2- [({4- [(Z)- (2,4- dioxo- 1,3- thiazolidin- 5- ylidene)methyl]phenyl}carbonyl)amino]- 5- hydroxybenzoicacid
Smiles: O=C1NC(=O)/C(=C/c2ccc(cc2)C(=O)Nc2ccc(cc2C(=O)O)O)/S1

STK580102
Synonyms: 4- hydroxy- 3- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 1,5- dioxaspiro[5.5]undec- 3- en- 2- one
Smiles: OC1=C(C(=O)OC2(O1)CCCCC2)C1NCCc2c1cccc2

STK580116
Synonyms: (2Z)- 3- (4- methyl- 3- nitrophenyl)- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])C)/c1scc(n1)c1cc2ccccc2oc1=O

STK580117
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- [5- phenyl- 6- (trifluoromethyl)pyrimidin- 4- yl]phenol
Smiles: Oc1cc(ccc1c1ncnc(c1c1ccccc1)C(F)(F)F)OCc1ccccc1F

STK580118
Synonyms: (4E)- 2- (4- bromophenyl)- 4- (furan- 2- ylmethylidene)- 4H- imidazol- 5- ol
Smiles: Brc1ccc(cc1)C1=N/C(=C/c2ccco2)/C(=N1)O

STK580119
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (4- ethylphenyl)- 5- (2- hydroxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)CC)c([nH]n2)c1cc(Cl)c(cc1O)C

STK580122
Synonyms: 3- amino- N- (3,4- dimethoxybenzyl)- 4- (trifluoromethyl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1OC)CNC(=O)c1sc2c(c1N)c(c1c(n2)CCC1)C(F)(F)F

STK580123
Synonyms: N- cyclooctyl- 2- (7,8- dimethoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NC1CCCCCCC1

STK580124
Synonyms: N- {3- [(furan- 2- ylmethyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}- 5- (2- hydroxy- 4,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2

STK849323
Synonyms: 3- (2- ethoxyphenoxy)- 7- hydroxy- 2- methyl- 4H- chromen- 4- one
Smiles: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)O

STK849325
Synonyms: N- (butan- 2- yl)- 2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NC(CC)C)n2c(n1)c(c1ccccc1)c(n2)C

STK849326
Synonyms: 3- benzyl- 8- (3,4- 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)CC1c1ccc(c(c1)OC)OC)Cc1ccccc1

STK580130
Synonyms: 7- chloro- 2- (2- chlorobenzyl)- 1- (3- hydroxyphenyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK849327
Synonyms: 3- (2- bromophenoxy)- 2- methyl- 4- oxo- 4H- chromen- 7- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)C)CC

STK580133
Synonyms: 7- bromo- 2- (4- methylpyridin- 2- yl)- 1- (3- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccnc(c1)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)Br

STK580135
Synonyms: 3- [(2E)- 2- (2- hydroxy- 5- nitrobenzylidene)hydrazinyl]- 6- methyl- 1,2,4- triazin- 5- ol
Smiles: Oc1ccc(cc1/C=N/Nc1nnc(c(n1)O)C)[N+](=O)[O-]

STK849328
Synonyms: N- (3- methoxyphenyl)- 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- amine
Smiles: COc1cccc(c1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK849330
Synonyms: 1- (3- methylphenyl)- 4- oxo- N- (pyridin- 3- yl)- 1,4- dihydropyridazine- 3- carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1cccnc1

STK580136
Synonyms: N- [(3,4- dimethoxyphenyl)carbamoyl]- L- alanine
Smiles: COc1cc(ccc1OC)NC(=O)N[C@H](C(=O)O)C

STK580139
Synonyms: 2- (2- hydroxyphenyl)- 12- (2- methoxyphenyl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c1nc(nn1cn2)c1ccccc1O)O

STK849331
Synonyms: (5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 3- (morpholin- 4- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)N1CCOCC1

STK580140
Synonyms: 5- [(4- chlorobenzyl)oxy]- 2- [4- (3- methoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: COc1cccc(c1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)Cl

STK580142
Synonyms: (3R,3'R,3a'S,6a'R)- 5'- (4- chlorophenyl)- 3'- (hydroxymethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: OC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1

STK580144
Synonyms: 1H- indol- 5- ol
Smiles: Oc1ccc2c(c1)cc[nH]2

STK580145
Synonyms: 7- methoxy- 2- methyl- 4- [2- (piperidin- 1- yl)ethyl]- 4H- [1,3]thiazolo[5,4- b]indole
Smiles: COc1ccc2c(c1)c1nc(sc1n2CCN1CCCCC1)C

STK580148
Synonyms: N- [4- (4- chlorophenyl)- 1,2,5- oxadiazol- 3- yl]- 2- (4- nitrophenoxy)acetamide
Smiles: O=C(Nc1nonc1c1ccc(cc1)Cl)COc1ccc(cc1)[N+](=O)[O-]

STK580151
Synonyms: N- cyclohexyl- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: Cc1cc(NC2CCCCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK580153
Synonyms: 2- [4- (4- chlorophenyl)- 1H- pyrazol- 5- yl]- 5- [(2- fluorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK580157
Synonyms: 4- (3- chlorophenyl)- 1- (ethylsulfanyl)- 8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CCN(C3)C

STK580160
Synonyms: 2- amino- 5- (4- ethoxyphenyl)- 6- hydroxy- 3,5- dihydro- 4H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCOc1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(n2)N)cccc3

STK580163
Synonyms: N'- [3- (4- chlorophenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- yl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1cc(C)nc2n1ncc2c1ccc(cc1)Cl)C

STK580168
Synonyms: 2- [(6- chloro- 3,4- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 2- ylmethyl)propanamide
Smiles: O=C(C(Oc1cc2oc(=O)c(c(c2cc1Cl)C)C)C)NCc1ccccn1

STK849340
Synonyms: N- (3- chlorophenyl)- 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- amine
Smiles: Clc1cccc(c1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK849341
Synonyms: 4- [(2- methoxyethyl)sulfanyl]- 7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: COCCSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK849342
Synonyms: 3- (4- chlorophenyl)- 5- methyl- N- (pyridin- 3- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NCc1cccnc1

STK580176
Synonyms: 2- (morpholin- 4- ium- 4- yl)- 5- [(thiophen- 2- ylmethyl)amino]benzoate
Smiles: [O-]C(=O)c1cc(ccc1[NH+]1CCOCC1)NCc1cccs1

STK580180
Synonyms: 2- hydroxy- 3- [(2S)- 3- (1H- indol- 3- yl)- 1- oxo- 1- (piperidin- 1- yl)propan- 2- yl]quinazolin- 4(3H)- one
Smiles: O=C([C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2)N1CCCCC1

STK580182
Synonyms: tert- butyl{(1S)- 1- [5- ({2- [(3- chloro- 2- methylphenyl)amino]- 2- oxoethyl}sulfonyl)- 1,3,4- oxadiazol- 2- yl]- 3- methylbutyl}carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)CC(=O)Nc1cccc(c1C)Cl)NC(=O)OC(C)(C)C)C

STK849343
Synonyms: (2Z)- 2- (3- chlorobenzylidene)- 6- (2- oxopropoxy)- 1- benzofuran- 3(2H)- one
Smiles: CC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)Cl)/C2=O

STK849345
Synonyms: ethyl6- bromo- 5- [(ethoxycarbonyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)Oc1cc2c(cc1Br)oc(c2C(=O)OCC)C

STK580193
Synonyms: N- (2- hydroxyethyl)- 2- methyl- 5- (3- propyl[1,2,4]triazolo[3,4- a]phthalazin- 6- yl)benzenesulfonamide
Smiles: CCCc1nnc2n1nc(c1ccc(c(c1)S(=O)(=O)NCCO)C)c1c2cccc1

STK580196
Synonyms: N- (2- chloro- 6- fluorobenzyl)- 2- (5- hydroxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NCc1c(F)cccc1Cl

STK580201
Synonyms: (1R,2S)- 2- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- ylcarbonyl)cyclohexanecarboxylicacid
Smiles: OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC2(CC1)OCCO2

STK580202
Synonyms: 5- bromo- 3- methyl- N- (tetrahydrofuran- 2- ylmethyl)- 1H- indole- 2- carboxamide
Smiles: Brc1ccc2c(c1)c(C)c([nH]2)C(=O)NCC1CCCO1

STK580204
Synonyms: 6- ethyl- 2- methyl- 4- (4- methylpiperazin- 1- yl)thieno[2,3- d]pyrimidine
Smiles: CCc1sc2c(c1)c(nc(n2)C)N1CCN(CC1)C

STK580209
Synonyms: 6- amino- 1- (2- chlorobenzyl)- 2- sulfanylpyrimidin- 4(1H)- one
Smiles: O=c1cc(N)n(c(n1)S)Cc1ccccc1Cl

STK580215
Synonyms: N- (3,4- dimethylphenyl)- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccc(c(c1)C)C

STK849350
Synonyms: 2- (4- chlorophenyl)- N- (4- phenyl- 1,2,5- oxadiazol- 3- yl)acetamide
Smiles: O=C(Nc1nonc1c1ccccc1)Cc1ccc(cc1)Cl

STK580220
Synonyms: (5Z)- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 5- (4- ethoxybenzylidene)- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCOc1ccc(cc1)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N

STK580222
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (biphenyl- 2- yl)acetamide
Smiles: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK849352
Synonyms: 1- benzyl- 4- oxo- N- [4- (propan- 2- yl)phenyl]- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CC(c1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)C

STK580230
Synonyms: 7- benzyl- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: O=c1c2c(nc3n1CCCS3)c1c(n2Cc2ccccc2)cccc1

STK580231
Synonyms: 3- [2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 2- oxoethyl]- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: O=C(N1CCc2c(C1)cccc2)CC1NC(=O)c2c1cccc2

STK580234
Synonyms: 2- hydroxy- 5- ({[(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)benzoicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)C(=O)O)O

STK580236
Synonyms: (1Z)- 1- (4- hydroxy- 2- oxo- 1,3- thiazol- 5(2H)- ylidene)- 4,4,6- trimethyl- 5,6- dihydro- 4H- pyrrolo[3,2,1- ij]quinolin- 2(1H)- one
Smiles: O=C1N=C(/C(=C\2/C(=O)N3c4c2cccc4C(CC3(C)C)C)/S1)O

STK849358
Synonyms: 1- [6- (2,4- dimethoxyphenyl)- 4- methyl- 2- sulfanyl- 1,6- dihydropyrimidin- 5- yl]ethanone
Smiles: COc1cc(OC)ccc1C1NC(=NC(=C1C(=O)C)C)S

STK849359
Synonyms: 4- amino- 2- [(2Z)- 1,3- benzoxazol- 2(3H)- ylideneamino]pyrimidine- 5- carbonitrile
Smiles: N#Cc1cnc(nc1N)/N=c/1\oc2c([nH]1)cccc2

STK580240
Synonyms: 7- (4- methylphenyl)- 3- (pyridin- 3- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1cccnc1

STK849362
Synonyms: ethyl6- [4- (dimethylamino)phenyl]- 4- methyl- 2- sulfanyl- 1,6- dihydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1=C(C)N=C(NC1c1ccc(cc1)N(C)C)S

STK580250
Synonyms: 4- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]methyl}- 6- ethyl- 2H- chromen- 2- one
Smiles: CCc1ccc2c(c1)c(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(=O)o2

STK849363
Synonyms: 3- amino- N- [(2Z)- 4- methyl- 1,3- thiazol- 2(3H)- ylidene]- 4- (trifluoromethyl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1cs/c(=N\C(=O)c2sc3c(c2N)c(c2c(n3)CCC2)C(F)(F)F)/[nH]1

STK580252
Synonyms: 4- {[(E)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)O

STK849365
Synonyms: N- [(2Z)- 6- fluoro- 1,3- benzothiazol- 2(3H)- ylidene]- 7,8- dimethyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Fc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)c(C)c(cc3)C)/[nH]2

STK849366
Synonyms: ethyl4- hydroxy- 7- (trifluoromethyl)quinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1O)ccc(c2)C(F)(F)F

STK849367
Synonyms: 4- (4- fluorophenyl)- 6- hydroxy- 2- (propylsulfanyl)- 4,5- dihydropyridine- 3- carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)F

STK580259
Synonyms: 3,4- dimethoxy- N- [3- (4- methylphenyl)- 4- oxo- 4H- chromen- 2- yl]benzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1oc2ccccc2c(=O)c1c1ccc(cc1)C

STK580261
Synonyms: 6- chloro- N- [4- (morpholin- 4- ylsulfonyl)phenyl]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK849368
Synonyms: 1- (3- methoxypropyl)- 9- methyl- 2- [(4- phenylpiperazin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCN(CC1)c1ccccc1

STK580263
Synonyms: 2- (4- ethylpiperazin- 1- yl)- N- [(2E)- 6- methyl- 1,3- benzothiazol- 2(3H)- ylidene]acetamide
Smiles: CCN1CCN(CC1)CC(=O)/N=c\1/sc2c([nH]1)ccc(c2)C

STK580264
Synonyms: 6- (butan- 2- yl)- 2- hydroxy- 1- (4- methylphenyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCC(N1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)C)O)C

STK580270
Synonyms: 3,3'- (pyridin- 3- ylmethanediyl)diquinoline- 2,4- diol
Smiles: Oc1nc2ccccc2c(c1C(c1c(O)nc2c(c1O)cccc2)c1cccnc1)O

STK580271
Synonyms: 5- [(2- chlorobenzyl)oxy]- 2- [4- (3,4- dimethoxyphenyl)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: COc1cc(ccc1OC)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1Cl

STK580276
Synonyms: 3- (4- fluorophenyl)- 5- oxo- 2- (4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl)- 5- (thiophen- 2- yl)pentanenitrile
Smiles: N#CC(C(c1ccc(cc1)F)CC(=O)c1cccs1)C1=NC(=O)CS1

STK849371
Synonyms: (2Z)- 2- (2,4- dimethoxybenzylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(cc1OC)OC)/C2=O)CC

STK849372
Synonyms: 3- butyl- 4- hydroxy- 8- methyl- 2H- pyrido[1,2- a]pyrimidin- 2- one
Smiles: CCCCc1c(=O)nc2n(c1O)ccc(c2)C

STK580282
Synonyms: 2- (2- methoxyphenyl)- 12- (pyridin- 3- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: COc1ccccc1c1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)cc(cc2)O

STK580283
Synonyms: 6,7- dimethoxy- 1- methyl- 2- (4- methylbenzyl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)Cc1ccc(cc1)C

STK580285
Synonyms: 7- (2- chlorophenyl)- 3- (4- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccccc1Cl

STK849373
Synonyms: 3- phenyl- N- [(2E)- 6- sulfamoyl- 1,3- benzothiazol- 2(3H)- ylidene]propanamide
Smiles: O=C(/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N)CCc1ccccc1

STK580286
Synonyms: (5E)- 2,6- dihydroxy- 5- [1- (piperidin- 1- ylamino)ethylidene]pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(/NN2CCCCC2)\C)/C(=N1)O

STK580288
Synonyms: (5Z)- 6- hydroxy- 5- (1- {[1- (1H- indol- 3- yl)butan- 2- yl]amino}ethylidene)- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C(/NC(Cc2c[nH]c3c2cccc3)CC)\C)/C1=O)O

STK580289
Synonyms: 2- (2- chlorophenoxy)- N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=c\1/[nH]nc(s1)c1ccco1)COc1ccccc1Cl

STK580293
Synonyms: 2- [4- (trifluoromethyl)phenyl]- 2,3- dihydro- 4H- 1,3- benzoxazin- 4- one
Smiles: O=C1NC(Oc2c1cccc2)c1ccc(cc1)C(F)(F)F

STK580298
Synonyms: (2E,5Z)- 2- (pyridin- 3- ylimino)- 5- (thiophen- 2- ylmethylidene)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OC1=N/C(=N\c2cccnc2)/S/C/1=C\c1cccs1

STK849375
Synonyms: 6- ethyl- 4- oxo- N- [2- (4- sulfamoylphenyl)ethyl]- 4H- chromene- 2- carboxamide
Smiles: CCc1ccc2c(c1)c(=O)cc(o2)C(=O)NCCc1ccc(cc1)S(=O)(=O)N

STK580302
Synonyms: N- (3- bromobenzyl)- 2- (4- chloro- 2- methylphenoxy)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)acetamide
Smiles: Clc1ccc(c(c1)C)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK580303
Synonyms: 1- (4- tert- butylphenyl)- 7- chloro- 6- methyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(Cc2cccnc2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1ccc(cc1)C(C)(C)C

STK580310
Synonyms: 2- {8- [(4- ethylpiperazin- 1- yl)methyl]- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl}acetamide
Smiles: CCN1CCN(CC1)Cc1nc2c(n1CC(=O)N)c(=O)n(c(=O)n2C)C

STK849377
Synonyms: 6- phenyl- 2- (piperidin- 1- yl)pyrimidin- 4- ol
Smiles: Oc1nc(nc(c1)c1ccccc1)N1CCCCC1

STK580315
Synonyms: 5- [(3- chlorobenzyl)oxy]- 2- [4- (3,4- dimethoxyphenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1cccc(c1)Cl

STK580318
Synonyms: 2- [5- (3,4- dichlorophenyl)furan- 2- yl]- 4- imino- 6,7- dihydro- 4H- [1,3]dioxolo[4,5- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(o1)c1ccc(c(c1)Cl)Cl

STK580320
Synonyms: 11- cyclopropyl- 4- methyl- 5,11- dihydro- 6H- dipyrido[3,2- b:2',3'- e][1,4]diazepin- 6- one
Smiles: Cc1ccnc2c1[nH]c(=O)c1c(n2C2CC2)nccc1

STK580323
Synonyms: 2- (2- fluorophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: O=C(C1N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1F)c1ccccc1

STK580327
Synonyms: 2- [(3- benzyl- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 4- ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1

STK580334
Synonyms: N- (furan- 2- ylmethyl)- 4,5,6,7- tetrahydro- 2H- indazole- 3- carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)NCc1ccco1

STK580336
Synonyms: ethyl1- amino- 8,8- dimethyl- 5- propyl- 8,9- dihydro- 6H- furo[2,3- b]pyrano[4,3- d]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1N)c1CC(C)(C)OCc1c(n2)CCC

STK580338
Synonyms: 1- (2,3- dimethylphenyl)- 6- propyl- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1cccc(c1C)C)S

STK849379
Synonyms: 2- [2- amino- 5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(2- chlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1Cl)N

STK580340
Synonyms: 7- methyl- 3- pentyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCCn1cnc2c(c1=O)[nH]c1c2ccc(c1)C

STK849380
Synonyms: (4E)- 4- [hydroxy(phenyl)methylidene]- 5- phenyl- 1- (tetrahydrofuran- 2- ylmethyl)pyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/O)/C(N1CC1CCCO1)c1ccccc1

STK580341
Synonyms: N- {3- [(furan- 2- ylmethyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)O

STK580342
Synonyms: N- (4- fluorophenyl)- 5,6- dimethylfuro[2,3- d]pyrimidin- 4- amine
Smiles: Fc1ccc(cc1)Nc1ncnc2c1c(C)c(o2)C

STK580343
Synonyms: 2- [2- (4- methoxyphenyl)ethyl]- 5,7- dimethyl- 1- (4- methylphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C)c(=O)c1c(o2)c(C)cc(c1)C

STK580347
Synonyms: 2- [7- (3,4- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nnc2n1cnc1c2cnn1c1ccc(c(c1)C)C

STK580354
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (6- methylpyridin- 2- yl)acetamide
Smiles: O=C(Nc1cccc(n1)C)CSc1nnc(n1N)c1n[nH]c(c1)C

STK849382
Synonyms: 3- (2,4- dimethoxyphenyl)- 8- (3- fluorophenyl)- 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(c1)F)c1ccc(cc1OC)OC

STK580355
Synonyms: 2- methoxy- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)acetamide
Smiles: COCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC(C)C

STK849383
Synonyms: 3- (2- methoxyphenyl)- 5- methyl- N- [2- (morpholin- 4- yl)ethyl]pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NCCN1CCOCC1

STK580360
Synonyms: 9- (pyridin- 2- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccn2)ncn3)CCC1

STK849385
Synonyms: 4- hydroxy- 1,3- dimethyl- 7- (pyridin- 4- yl)- 5,5- bis(trifluoromethyl)- 3,5- dihydropyrimido[4,5- d]pyrimidin- 2(1H)- one
Smiles: Cn1c(O)c2c(=NC(=NC2(C(F)(F)F)C(F)(F)F)c2ccncc2)n(c1=O)C

STK580366
Synonyms: 5- [(3- chlorobenzyl)oxy]- 2- [5- (4- methoxyphenoxy)pyrimidin- 4- yl]phenol
Smiles: COc1ccc(cc1)Oc1cncnc1c1ccc(cc1O)OCc1cccc(c1)Cl

STK580368
Synonyms: trans- 4- [({S- benzyl- N- [(6- chloro- 7- methoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetyl]- L- cysteinyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)N[C@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)CSCc1ccccc1

STK580369
Synonyms: 2- [(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)methyl]- 9- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: COc1cc2c(cc1OC)CCN(C2C)Cc1cc(=O)n2c(n1)c(C)ccc2

STK580370
Synonyms: 3- methyl- 4- {[(E)- (2- oxocyclohexylidene)methyl]ammonio}benzoate
Smiles: O=C1CCCC/C/1=C\[NH2+]c1ccc(cc1C)C(=O)[O-]

STK580371
Synonyms: 2- hydroxy- 4- ({3- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK580372
Synonyms: 1,5- dimethyl- 4- [(3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1OC(c2c1cccc2)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK580373
Synonyms: N- (3,5- dichlorophenyl)- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1cc(cc(c1)Cl)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK849389
Synonyms: N- (4- methoxyphenyl)- 2,5- dimethyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccc(cc1)Nc1cc(C)nc2n1nc(c2c1ccc(cc1)C)C

STK849390
Synonyms: 8- (3,5- dimethylpiperidin- 1- yl)- 1,3- dimethyl- 7- {2- [(4- methylpyrimidin- 2- yl)sulfanyl]ethyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CC(C)CC(C1)C

STK849391
Synonyms: 2- methyl- 3- phenyl- 5- (propan- 2- yl)- N- (pyridin- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NCc2ccccn2)n2c(n1)c(c1ccccc1)c(n2)C)C

STK580391
Synonyms: 6- benzyl- 2- hydroxy- 1- (4- methoxyphenyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)Cc1ccccc1

STK580393
Synonyms: {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK580395
Synonyms: tert- butyl{3- oxo- 3- [(2E)- 2- (quinolin- 8- ylmethylidene)hydrazinyl]propyl}carbamate(non- preferredname)
Smiles: O=C(N/N=C/c1cccc2c1nccc2)CCNC(=O)OC(C)(C)C

STK580399
Synonyms: 3,5- bis(4- methoxyphenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1ccc(cc1)c1cc(O)n2c(n1)c(c1ccc(cc1)OC)c(n2)C

STK580405
Synonyms: 2- (4- bromophenyl)- N- [3- (1H- tetrazol- 1- yl)phenyl]acetamide
Smiles: O=C(Cc1ccc(cc1)Br)Nc1cccc(c1)n1cnnn1

STK580406
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- [3- (methylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 1H- pyrazole- 3- carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)ccc2O)sc2c1CCCC2

STK849396
Synonyms: 1- benzyl- 7- methyl- 2- [(4- methylpiperidin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: CC1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK849399
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- {[5- (2- methylfuran- 3- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetamide
Smiles: O=C(/N=c/1\sc2c([nH]1)cccc2)CSc1nnc(o1)c1ccoc1C

STK580409
Synonyms: 2- (1,1- dioxido- 3- oxo- 1,2- benzothiazol- 2(3H)- yl)- N- [4- (furan- 2- yl)butan- 2- yl]- N- methylacetamide
Smiles: CC(N(C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)C)CCc1ccco1

STK580418
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- 7- [4- (2- methylprop- 2- en- 1- yl)piperazin- 1- yl]pyrazolo[1,5- a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C

STK580422
Synonyms: 4- {[(3- hydroxypropyl)amino]methyl}quinolin- 2- ol
Smiles: OCCCNCc1cc(O)nc2c1cccc2

STK580425
Synonyms: 10- (2- chloro- 6- fluorophenyl)- 1,3- dimethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Fc1cccc(c1C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)Cl

STK849404
Synonyms: N- [(2E)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 7- methyl- 1- oxo- 3,4- dihydro- 1H- isochromene- 3- carboxamide
Smiles: CCc1n[nH]/c(=N\C(=O)C2OC(=O)c3c(C2)ccc(c3)C)/s1

STK580428
Synonyms: 1- {[3- (1H- indol- 3- yl)propanoyl]oxy}pyrrolidine- 2,5- dione
Smiles: O=C(ON1C(=O)CCC1=O)CCc1c[nH]c2c1cccc2

STK580431
Synonyms: 5,5- dimethyl- 2- (pyrrolidin- 1- ylmethyl)- 5,6- dihydrobenzo[h]quinazolin- 4- ol
Smiles: Oc1nc(CN2CCCC2)nc2c1C(C)(C)Cc1c2cccc1

STK580432
Synonyms: 8- [(2- aminoethyl)amino]- 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: NCCNc1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C

STK580433
Synonyms: 4- (2- fluorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(C)cc(c1O)C

STK580434
Synonyms: 5- (3,4- dimethylphenyl)- 3- (2- hydroxyphenyl)- 1- (1H- indol- 3- ylmethyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: Oc1ccccc1C1NC(C2C1C(=O)N(C2=O)c1ccc(c(c1)C)C)(Cc1c[nH]c2c1cccc2)C(=O)O

STK580436
Synonyms: 5- amino- 2- (methylsulfanyl)- 7- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine- 6- carbonitrile
Smiles: N#CC1=C(N)N=c2n(C1c1ccccc1)nc([nH]2)SC

STK849407
Synonyms: N- (4- chlorophenyl)- 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- amine
Smiles: Clc1ccc(cc1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK580437
Synonyms: 12- (furan- 2- yl)- 9,9- dimethyl- 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: O=C1CC(C)(C)CC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccncc1

STK580438
Synonyms: (4E)- 4- [hydroxy(4- methylphenyl)methylidene]- 5- phenyl- 1- (pyridin- 2- yl)pyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1ccccn1)/O

STK580442
Synonyms: tert- butyl(2S)- 2- (5- {[2- (dimethylamino)- 2- oxoethyl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)pyrrolidine- 1- carboxylate
Smiles: O=C(N(C)C)CSc1nnc(o1)[C@@H]1CCCN1C(=O)OC(C)(C)C

STK580444
Synonyms: N- [(3- chloro- 4- methoxyphenyl)carbamoyl]- L- leucine
Smiles: COc1ccc(cc1Cl)NC(=O)N[C@H](C(=O)O)CC(C)C

STK580447
Synonyms: 5- [2- (3,4- dimethoxyphenyl)ethyl]- 4- (2- fluorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(C)cc(c1O)C

STK849411
Synonyms: N- (3- chlorophenyl)- 1- (3- methoxypropyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1cccc(c1)Cl

STK580451
Synonyms: 5- (2- hydroxy- 4- methylphenyl)- N- (4- methylbenzyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)c1n[nH]c(c1)c1ccc(cc1O)C

STK580456
Synonyms: 5- (2,4- dichlorophenyl)- 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

STK580457
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (4- hydroxy- 3- methoxyphenyl)- 5- (prop- 2- en- 1- yl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: C=CCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK580459
Synonyms: 1- {N- [(9- oxo- 9H- fluoren- 4- yl)carbonyl]- L- valyl}piperidine- 4- carboxylicacid
Smiles: CC([C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)c1cccc2c1c1ccccc1C2=O)C

STK849413
Synonyms: 3- cyclohexyl- 6- oxo- 8- (2,4,5- trimethoxyphenyl)- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(OC)c(cc1OC)OC)C1CCCCC1

STK580466
Synonyms: 7- [3- (dimethylamino)propyl]- N- (4- fluorophenyl)- 5,6- dimethyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: CN(CCCn1c(C)c(c2c1ncnc2Nc1ccc(cc1)F)C)C

STK849416
Synonyms: N- (2- methoxyethyl)- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]acetamide
Smiles: COCCN(C(=O)C)Cc1cc2cccc(c2[nH]c1=O)C

STK580472
Synonyms: 2- [methyl(5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinolin- 8- yl)amino]ethanol
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N(CCO)C

STK580475
Synonyms: N- [(4- chlorobenzyl)carbamoyl]- D- valine
Smiles: CC([C@H](C(=O)O)NC(=O)NCc1ccc(cc1)Cl)C

STK580478
Synonyms: N- {[2- (cyclohex- 1- en- 1- yl)ethyl]carbamoyl}- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCCC1=CCCCC1)C

STK849418
Synonyms: 4- [3- (quinolin- 2- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]benzenesulfonamide
Smiles: S=c1[nH]nc(n1c1ccc(cc1)S(=O)(=O)N)c1ccc2c(n1)cccc2

STK580481
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 5- (2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)NCc1ccc2c(c1)OCO2

STK580482
Synonyms: ethyl10- (furan- 2- yl)- 8- methyl- 2- (pyridin- 2- yl)- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 9- carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1ccccn1

STK580484
Synonyms: 5- (2- chlorophenyl)- 4- {[(1E,2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/C=C/c1ccco1

STK580485
Synonyms: (2S)- ({6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]hexanoyl}amino)(phenyl)ethanoicacid
Smiles: O=C(N[C@@H](c1ccccc1)C(=O)O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK849420
Synonyms: 5- methyl- N- [2- (morpholin- 4- yl)ethyl]- 3- phenyl- 6- (prop- 2- en- 1- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: C=CCc1c(C)nc2n(c1NCCN1CCOCC1)ncc2c1ccccc1

STK580491
Synonyms: methyl2- {methyl[(3,6,6- trimethyl- 4- oxo- 4,5,6,7- tetrahydro- 1- benzofuran- 2- yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N(C(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C)C

STK580493
Synonyms: 9- (4- ethoxyphenyl)- 6,6- dimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCOc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)(C)C

STK849421
Synonyms: (2Z)- 2- (furan- 2- ylmethylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylacetate
Smiles: CC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O

STK580498
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2)C

STK580501
Synonyms: N- {[4- (4- methoxyphenyl)tetrahydro- 2H- pyran- 4- yl]methyl}ethanediamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)C(=O)N

STK580502
Synonyms: methyl{1,3- dimethyl- 8- [(2- methylpiperidin- 1- yl)methyl]- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl}acetate
Smiles: COC(=O)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(c(=O)n2C)C

STK580503
Synonyms: (1Z)- 6,7- dimethoxy- 1- {[(4- nitrophenyl)sulfonyl]methylidene}- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK580505
Synonyms: (2Z)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 1- (thiophen- 2- yl)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3cccs3)/NCCc2cc1OC

STK849424
Synonyms: 3- (2- methoxyphenyl)- 2,5- dimethyl- N- (pyridin- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NCc1ccccn1

STK849425
Synonyms: 2- (3,5- dimethoxyphenyl)- 2,3- dihydro- 4H- 1,3- benzoxazin- 4- one
Smiles: COc1cc(cc(c1)OC)C1NC(=O)c2c(O1)cccc2

STK580513
Synonyms: 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- (3- hydroxypropyl)- 4- (3,4,5- trimethoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1cc(C)cc(c1O)C

STK849426
Synonyms: 2- amino- 5- (2- chloro- 6- fluorophenyl)- 4- hydroxy- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: O=C1Nc2nc(N)nc(c2C(C1)c1c(F)cccc1Cl)O

STK580521
Synonyms: 2- [2- (phenoxymethyl)- 8,9- diphenyl- 7H- pyrrolo[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 7- yl]ethanol
Smiles: OCCn1c(c2ccccc2)c(c2c1ncn1c2nc(n1)COc1ccccc1)c1ccccc1

STK580525
Synonyms: (E)- 1- (2- methoxyphenyl)- N- [(9- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]methanimine
Smiles: COc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C

STK580528
Synonyms: N- (3- bromobenzyl)- 2- (4- tert- butylphenoxy)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)C(C)(C)C

STK580529
Synonyms: 12- (4- methoxyphenyl)- 2- methyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)C

STK580532
Synonyms: N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}pyridine- 4- carboxamide
Smiles: Clc1cc(c2n(c1)c(CNC(=O)c1ccncc1)nn2)C(F)(F)F

STK580533
Synonyms: 4- ({2- [(5E)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(C(N1C(=S)S/C(=C/c2ccc(cc2)F)/C1=O)C)Nc1ccc(c(c1)O)C(=O)O

STK580534
Synonyms: 6,8- dichloro- N- [(2Z)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Clc1cc(Cl)c2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]nc(s1)C

STK849428
Synonyms: N- (4- fluorobenzyl)- 2- (5- hydroxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NCc1ccc(cc1)F

STK580538
Synonyms: 1- (4- tert- butylphenyl)- 7- chloro- 2- [2- (4- methoxyphenyl)ethyl]- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c(=O)c1c(o2)cc(c(c1)Cl)C

STK580539
Synonyms: 5- ({4- [(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)C(=O)O)O)CCCN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK580545
Synonyms: (2Z)- 1- (3- chlorophenyl)- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)ethanone
Smiles: Clc1cccc(c1)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2

STK849430
Synonyms: 2- {[(2Z)- 3- oxo- 2- (thiophen- 2- ylmethylidene)- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}acetohydrazide
Smiles: NNC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)/C2=O

STK580551
Synonyms: (1S)- 3- methyl- 1- (5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)butan- 1- amine
Smiles: N[C@H](c1nnc(o1)SC/C=C/c1ccccc1)CC(C)C

STK580552
Synonyms: 2- (3,4- dimethoxybenzyl)- 9- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C

STK580557
Synonyms: 1- (3- hydroxyphenyl)- 2- (3- hydroxypropyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)c(C)cc(c1)C

STK849434
Synonyms: 2- methyl- 3- phenyl- N- (tetrahydrofuran- 2- ylmethyl)- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCC2CCCO2)CCC1

STK580560
Synonyms: 2- methyl- 3- phenyl- 5- propyl- 7- [4- (pyridin- 2- yl)piperazin- 1- yl]pyrazolo[1,5- a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)c2ccccn2)n2c(n1)c(c1ccccc1)c(n2)C

STK580564
Synonyms: 6- hydroxy- 1,3- dimethyl- 5- [(2E)- 3- (6- methylpyridin- 2- yl)prop- 2- enoyl]pyrimidine- 2,4(1H,3H)- dione
Smiles: Cc1cccc(n1)/C=C/C(=O)c1c(O)n(C)c(=O)n(c1=O)C

STK580566
Synonyms: 5- [(4- fluorobenzyl)amino]- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: Fc1ccc(cc1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1

STK580567
Synonyms: 2- (4- methoxyphenoxy)- N- [3- (4- methylphenyl)- 1,2- oxazol- 5- yl]acetamide
Smiles: COc1ccc(cc1)OCC(=O)Nc1onc(c1)c1ccc(cc1)C

STK580568
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (biphenyl- 2- yl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccccc1c1ccccc1

STK580570
Synonyms: (2Z)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- N- (2- methoxyethyl)ethanethioamide
Smiles: COCCNC(=S)/C=C/1\NCCc2c1cc(OC)c(c2)OC

STK580572
Synonyms: methyl(2S)- (2- chlorophenyl)(6,7- dihydrothieno[3,2- c]pyridin- 5(4H)- yl)ethanoate
Smiles: COC(=O)[C@H](c1ccccc1Cl)N1CCc2c(C1)ccs2

STK580574
Synonyms: 4- {(E)- [1- (4- fluorobenzyl)- 2- hydroxy- 5- oxo- 1,5- dihydro- 4H- imidazol- 4- ylidene]methyl}benzoicacid
Smiles: Fc1ccc(cc1)CN1C(=N/C(=C/c2ccc(cc2)C(=O)O)/C1=O)O

STK580580
Synonyms: (3a'S,6a'R)- 5'- cyclopentyl- 5- fluoro- 3'- [2- (methylsulfanyl)ethyl]- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(F)cc1

STK580585
Synonyms: 6- amino- 4- (3,4- dimethoxyphenyl)- 3- methyl- 1- phenyl- 1H- pyrazolo[3,4- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1ccc(c(c1)OC)OC)c(C)nn2c1ccccc1

STK580586
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- [4- (2- methoxyphenyl)- 1,2- oxazol- 5- yl]phenol
Smiles: COc1ccccc1c1cnoc1c1ccc(cc1O)OCc1ccccc1F

STK849442
Synonyms: 2- methyl- N- (2- methylpropyl)- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- amine
Smiles: CC(CNc1c2CCCCc2nc2n1nc(c2c1ccccc1)C)C

STK580588
Synonyms:
Smiles: O=C(Nc1ccc(cc1)F)COc1cccc2c1nsn2

STK849444
Synonyms: 2- {[3- cyano- 6- hydroxy- 4- (4- methylphenyl)- 4,5- dihydropyridin- 2- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)N=C(CC1c1ccc(cc1)C)O

STK580596
Synonyms: 5- (2,4- dimethoxyphenyl)- 7- hydroxy- 1- methyl- 2- (methylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1cc(OC)ccc1C1CC(=Nc2c1c(=O)nc(n2C)SC)O

STK580597
Synonyms: 3- methyl- 6- phenylthieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cn1cnc2c(c1=O)cc(s2)c1ccccc1

STK580605
Synonyms: N- [(1- phenylethyl)carbamoyl]- D- alanine
Smiles: CC(c1ccccc1)NC(=O)N[C@@H](C(=O)O)C

STK580608
Synonyms: 6- (furan- 2- yl)- 2- methyl- 9- (3,4,5- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1c(OC)cc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)c1ccco1

STK580609
Synonyms: N- {[2- (4- chlorophenyl)ethyl]carbamoyl}- L- phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCCc1ccc(cc1)Cl

STK849450
Synonyms: 3- [7- (4- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)c1cccc(c1)O

STK849451
Synonyms: 8- (2,4- dimethoxyphenyl)- 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(cc1OC)OC)c1ccccc1

STK580614
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- chloro- 4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK580616
Synonyms: 7- methoxy- 3- {(E)- [2- (5H- [1,2,4]triazino[5,6- b]indol- 3- yl)hydrazinylidene]methyl}quinolin- 2- ol
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1)O

STK580622
Synonyms: 7- chloro- 6- methyl- 1- (3- phenoxyphenyl)- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(Cc2cccnc2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1cccc(c1)Oc1ccccc1

STK580623
Synonyms: 8- ethoxy- N- (tetrahydrofuran- 2- ylmethyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCC1CCCO1

STK580624
Synonyms: N- {[1- (tert- butoxycarbonyl)piperidin- 4- yl]carbonyl}- L- tryptophan
Smiles: OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

STK580627
Synonyms: 1- (5- bromo- 2- hydroxyphenyl)- 1- oxopropan- 2- ylpyrrolidine- 1- carbodithioate
Smiles: CC(C(=O)c1cc(Br)ccc1O)SC(=S)N1CCCC1

STK849456
Synonyms: 4- phenyl- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 2- amine
Smiles: NC1=NC(n2c(=N1)[nH]c1c2cccc1)c1ccccc1

STK580628
Synonyms: N- (pentylcarbamoyl)- D- methionine
Smiles: CCCCCNC(=O)N[C@@H](C(=O)O)CCSC

STK849457
Synonyms: N- (3- acetylphenyl)- 4- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: O=C(Nc1cccc(c1)C(=O)C)CCCn1nnc2c(c1=O)cccc2

STK849458
Synonyms: N- {3- [(2- methoxyethyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}- 1- (3- methylphenyl)- 4- oxo- 1,4- dihydropyridazine- 3- carboxamide
Smiles: COCCNC(=O)c1c(NC(=O)c2nn(ccc2=O)c2cccc(c2)C)sc2c1CCCC2

STK849459
Synonyms: 3- (2- hydroxyphenyl)- 5- (tetrahydrofuran- 2- ylmethyl)- 4- (3,4,5- trimethoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cc(cc(c1OC)OC)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK580635
Synonyms: 2- [(3- benzyl- 4,8- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (2- methoxyethyl)acetamide
Smiles: COCCNC(=O)COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1

STK580638
Synonyms: 3- (4- chlorophenyl)- 1- [2- (diethylamino)ethyl]- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: CCN(CCn1c(=O)n(c2ccc(cc2)Cl)c(=O)c2c1sc1c2CCN(C1)C)CC

STK580639
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3,5- dimethyl- 1- benzofuran- 2- carboxamide
Smiles: Cc1ccc2c(c1)c(C)c(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK580640
Synonyms: N- [(3- chloro- 4- fluorophenyl)carbamoyl]- L- phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1ccc(c(c1)Cl)F

STK580651
Synonyms: N- [5- hydroxy- 2- (4- methoxyphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]propanamide
Smiles: CCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)OC

STK580652
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1N)c1cc([nH]n1)c1ccccc1

STK580653
Synonyms: 2- [8- (4- chlorophenyl)- 11- (furan- 2- yl)- 10- methyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: Clc1ccc(cc1)n1nc(c2c1Oc1ncn3c(c1C2c1ccco1)nc(n3)c1ccccc1O)C

STK580655
Synonyms: methyl4- ({7- [(4- bromobenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)Br

STK580660
Synonyms: 2- (3,4- dimethoxyphenyl)- 8,9- dimethylfuro[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)oc(c1C)C

STK580661
Synonyms: N- [5- hydroxy- 2- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- nitrobenzamide
Smiles: Oc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n2c(n1)nc(n2)CCc1ccccc1

STK580665
Synonyms: 5- hydroxy- 7- (4- methoxyphenyl)- 2- oxo- N- [3- (trifluoromethyl)phenyl]- 2,3,4,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: COc1ccc(cc1)C1CC(=C2C(=NC(=O)CC2C(=O)Nc2cccc(c2)C(F)(F)F)C1)O

STK580677
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 5- fluoro- 3- methyl- 1- benzofuran- 2- carboxamide
Smiles: Fc1ccc2c(c1)c(C)c(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK849464
Synonyms: 6- methyl- 4- oxo- N- (pyridin- 3- yl)- 4H- chromene- 2- carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1cccnc1

STK849465
Synonyms: 5- (furan- 2- ylmethyl)- 3- (2- hydroxyphenyl)- 4- (3- methoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cccc(c1)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK580678
Synonyms: 3- (4- chlorophenyl)- 2,5- dimethyl- 7- (2- methyl- 1H- imidazol- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(C)cc2n1ccnc1C

STK580679
Synonyms: 2- {5- [(2- methylbenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}pyrazine
Smiles: Cc1ccc(cc1)n1c(nnc1c1cnccn1)SCc1ccccc1C

STK580680
Synonyms: 1- methyl- 6- (3- methylphenyl)- 4- (3- nitrophenyl)- 3,4,6,7- tetrahydro- 1H- pyrrolo[3,4- d]pyrimidine- 2,5- dione
Smiles: Cc1cccc(c1)N1CC2=C(C1=O)C(NC(=O)N2C)c1cccc(c1)[N+](=O)[O-]

STK580683
Synonyms: 2- {[(2Z)- 2- (2,3- dimethoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)Nc1ccccc1C(F)(F)F

STK849466
Synonyms: 4- (4- chlorophenyl)- 3- (2- hydroxyphenyl)- 5- (2- phenylethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Clc1ccc(cc1)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK580685
Synonyms: 2- (2- methoxyethyl)- 1- (4- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCN1C(=O)c2c(C1c1ccc(cc1)OC)c(=O)c1c(o2)cccc1

STK580686
Synonyms: 2- [2- amino- 5- (4- bromophenyl)pyrimidin- 4- yl]- 5- [(4- fluorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(cc1)F)c1ccc(cc1)Br

STK580689
Synonyms: (4E)- 4- {[(3,5- dichlorophenyl)amino]methylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Clc1cc(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1)Cl

STK849467
Synonyms: 2- {[4- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 3- cyano- 6- hydroxy- 4,5- dihydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)N=C(CC1c1cc(Br)c(c(c1)OC)O)O

STK580693
Synonyms: 3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)- N- (pyridin- 3- yl)propanamide
Smiles: O=C(Nc1cccnc1)CCn1nnc2c(c1=O)cccc2

STK580699
Synonyms: 2- benzyl- 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 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)Cc1ccccc1)c1ccccc1

STK580703
Synonyms: 2- [(4- fluorobenzyl)sulfanyl]- 4- hydroxy- 5- (4- hydroxy- 3- methoxyphenyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: COc1cc(ccc1O)C1CC(=O)Nc2c1c(O)nc(n2)SCc1ccc(cc1)F

STK580707
Synonyms: 6'- hydroxy- 4- methyl- 3'- (4- phenylbutan- 2- yl)- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CC(N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O)CCc1ccccc1

STK580710
Synonyms: 5- [2- (3,4- dimethoxyphenyl)ethyl]- 3- (2- hydroxy- 3,5- dimethylphenyl)- 4- (4- methylphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)C)c([nH]n2)c1cc(C)cc(c1O)C

STK580716
Synonyms: N- [4- (4- methylphenyl)- 1,2,5- oxadiazol- 3- yl]thiophene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1nonc1NC(=O)c1cccs1

STK580717
Synonyms: 2- [(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- (2- oxo- 2H- chromen- 6- yl)acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2)/C1=O)Nc1ccc2c(c1)ccc(=O)o2

STK849470
Synonyms: 2- [(3- acetylphenyl)amino]- 4H- pyrido[3,2- e][1,3]thiazin- 4- one
Smiles: CC(=O)c1cccc(c1)Nc1nc(=O)c2c(s1)nccc2

STK580718
Synonyms: 2- [4- (benzyloxy)phenyl]- 5- {[3- (morpholin- 4- yl)propyl]amino}- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCCCN1CCOCC1)c1ccc(cc1)OCc1ccccc1

STK849472
Synonyms: 4- [(1,1- dioxidotetrahydrothiophen- 3- yl)amino]- 1- methyl- 3- nitroquinolin- 2(1H)- one
Smiles: [O-][N+](=O)c1c(NC2CCS(=O)(=O)C2)c2ccccc2n(c1=O)C

STK849473
Synonyms: 1- benzyl- 9- methyl- 2- [(4- phenylpiperazin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: O=c1c2cc(n(c2nc2n1cccc2C)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccc1

STK580729
Synonyms: (3R)- 2,2- dimethyl- N- [(2S)- 3- methyl- 1- oxo- 1- (pentylamino)butan- 2- yl]- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CCCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

STK580730
Synonyms: 7- chloro- 1- (3- chlorophenyl)- 6- methyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK580731
Synonyms: N- [6- methyl- 2,4- bis(4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]furan- 2- carboxamide
Smiles: Cc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccco1)c1ccc(cc1)C

STK580739
Synonyms: (2Z)- 2- (2- chloro- 6- fluorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl2- methylpropanoate
Smiles: CC(C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O)C

STK580742
Synonyms: 2- (1H- benzimidazol- 2- yl)- 3- oxo- 4- [4- (phenylsulfonyl)piperazin- 1- yl]butanenitrile
Smiles: N#CC(c1nc2c([nH]1)cccc2)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1

STK580745
Synonyms: N- [(3- chlorophenyl)carbamoyl]- D- leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)Nc1cccc(c1)Cl)C

STK580754
Synonyms: N- (3- ethoxypropyl)- 1- (3- methoxypropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCOCCCNC(=O)c1cc2c(n1CCCOC)nc1n(c2=O)cccc1

STK580755
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- 2- methyl- N- (4- methylphenyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C

STK580763
Synonyms: 2- ({5- [(1S)- 1- amino- 2- (1H- indol- 3- yl)ethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (3- chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK580765
Synonyms: N- [4- (dimethylamino)benzyl]- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (3- nitrophenoxy)acetamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C)COc1cccc(c1)[N+](=O)[O-]

STK580770
Synonyms: (5Z)- 3- [4- (azepan- 1- yl)- 4- oxobutyl]- 5- (4- methylbenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Cc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)N1CCCCCC1

STK849478
Synonyms: 1- benzyl- N- (3- ethoxypropyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCOCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK580773
Synonyms: 7- ethyl- N~5~- (4- methylphenyl)- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridine- 1,5- diamine
Smiles: CCN1CCc2c(C1)c(Nc1ccc(cc1)C)nc1c2c(N)n[nH]1

STK849479
Synonyms: 1- benzyl- N,N- diethyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)CC

STK849480
Synonyms: methyl4- (2- ethyl- 3,9- dioxo- 1,2,3,9- tetrahydrochromeno[2,3- c]pyrrol- 1- yl)benzoate
Smiles: CCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)cccc1

STK580778
Synonyms: 4- ({[(5Z)- 5- benzylidene- 2,4- dioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2)/C1=O)Nc1ccc(c(c1)O)C(=O)O

STK580780
Synonyms: 9- (2- ethoxyphenyl)- 2- (trifluoromethyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCOc1ccccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)C(F)(F)F

STK580783
Synonyms: N,N- diethyl- N'- (8- ethyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)propane- 1,3- diamine
Smiles: CCN(CCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)CC)CC

STK580786
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)NCc1ccc(cc1)C)C

STK849481
Synonyms: 3- (2- bromophenoxy)- 7- methoxy- 2- methyl- 4H- chromen- 4- one
Smiles: COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)C

STK849482
Synonyms: 4- [4- (2- ethoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]benzene- 1,3- diol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)O

STK580792
Synonyms: 3- cyclohexyl- 7- (3,5- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nnc1C1CCCCC1

STK580795
Synonyms: 1- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 3H- benzo[f]chromen- 3- one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1c1ccccc1cc2

STK849485
Synonyms: 3,3- dimethyl- N- [(2Z)- 6- (methylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(CC(C)(C)C)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK580796
Synonyms: (4- benzylpiperidin- 1- yl)(5,6- dimethoxy- 1H- indol- 2- yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCC(CC1)Cc1ccccc1

STK849486
Synonyms: 1- (morpholin- 4- ylmethyl)- 3H- benzo[f]chromen- 3- one
Smiles: O=c1cc(CN2CCOCC2)c2c(o1)ccc1c2cccc1

STK580800
Synonyms: (3S)- N- {2- [(2,4- dimethylphenyl)amino]- 2- oxoethyl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C(Nc1ccc(cc1C)C)CNC(=O)[C@H]1NCc2c(C1)cccc2

STK580802
Synonyms: 3- (2- methoxyethyl)- 2,10- dimethylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: COCCn1c(C)nc2c(c1=O)c(=O)c1c(n2C)cccc1

STK849489
Synonyms: 3- (4- methoxyphenyl)- 6- oxo- 8- (2,4,5- trimethoxyphenyl)- 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)c1cc(OC)c(cc1OC)OC

STK580810
Synonyms: 7- (furan- 2- yl)- 2- hydroxy- 5- oxo- N- [3- (trifluoromethyl)phenyl]- 3,4,5,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)CC(C2)c1ccco1

STK580815
Synonyms: 7- [2- (4- methylpiperidin- 1- yl)- 2- oxoethyl]- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: CC1CCN(CC1)C(=O)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2

STK580821
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- ethoxy- N- (furan- 2- ylmethyl)benzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccco1

STK580826
Synonyms: 2- cyano- N- (1- imino- 1,3- dihydro- 2H- isoindol- 2- yl)acetamide
Smiles: N#CCC(=O)NN1Cc2c(C1=N)cccc2

STK849490
Synonyms: N- (3- methoxyphenyl)- 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)OC

STK580829
Synonyms: N- benzyl- 6- chloro- N- (4- methoxyphenyl)- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: COc1ccc(cc1)N(C(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Cc1ccccc1

STK580830
Synonyms: 3- [2- (cyclohex- 1- en- 1- yl)ethyl]- 5- [(2E)- 3- (2,4- dimethoxyphenyl)prop- 2- enoyl]- 2,6- dihydroxypyrimidin- 4(3H)- one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1c(O)nc(n(c1=O)CCC1=CCCCC1)O

STK580833
Synonyms: N- [(2Z)- 1,3- benzoxazol- 2(3H)- ylidene]- 5- (tetrahydrofuran- 2- ylmethyl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: C1COC(C1)CN1CNC(=NC1)/N=c/1\oc2c([nH]1)cccc2

STK580835
Synonyms: 3- (4- chlorophenyl)- 5- methyl- N- (pyridin- 4- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2Nc1ccncc1

STK580836
Synonyms: 4- ({4- chloro- N- [(6- chloro- 7- methoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetyl]phenylalanyl}amino)butanoicacid
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)NC(C(=O)NCCCC(=O)O)Cc1ccc(cc1)Cl

STK580839
Synonyms: (4Z)- 4- (hydroxyimino)- N- (4- methoxyphenyl)- 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(cc1)OC

STK580844
Synonyms: 2- (5,7- dimethoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- [2- (3- fluorophenyl)ethyl]acetamide
Smiles: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)NCCc1cccc(c1)F

STK580845
Synonyms: 2- (ethylsulfanyl)- 9- (3- hydroxyphenyl)- 6,6- dimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cccc(c1)O

STK580846
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK580848
Synonyms: 3- (2- methoxyphenyl)- 2,5- dimethyl- 7- (4- methylpiperazin- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCN(CC1)C

STK849493
Synonyms: 3- amino- 6- (1,3- benzodioxol- 5- yl)- N- cyclopropylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccc2c(c1)OCO2)NC1CC1

STK580851
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- 7- (4- phenylpiperazin- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2N1CCN(CC1)c1ccccc1)C(C)(C)C

STK849495
Synonyms: 3- (2- hydroxyphenyl)- 4- (3- hydroxyphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1ccccc1O

STK580854
Synonyms: {[(2Z)- 2- (4- fluorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)F)/C2=O

STK580857
Synonyms: ethyl4- ({[(2E)- 4- hydroxy- 2- {[3- (trifluoromethyl)phenyl]imino}- 2,5- dihydro- 1,3- thiazol- 5- yl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CC1S/C(=N/c2cccc(c2)C(F)(F)F)/N=C1O

STK580860
Synonyms: 2- (3,4- dimethoxybenzyl)- 9- propyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)Cc1ccc(c(c1)OC)OC

STK580867
Synonyms: N- (3- chlorophenyl)- 2- methyl- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- amine
Smiles: Clc1cccc(c1)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK849501
Synonyms: 3- benzyl- 8- (2- methoxynaphthalen- 1- yl)- 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)CC1c1c(OC)ccc2c1cccc2)Cc1ccccc1

STK580882
Synonyms: (5Z)- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- methyl- 5- [(5- methylfuran- 2- yl)methylidene]- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(o2)C)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK580886
Synonyms: N- [(2E)- 6- ethoxy- 1,3- benzothiazol- 2(3H)- ylidene]- 2- (4- ethylpiperazin- 1- yl)acetamide
Smiles: CCOc1ccc2c(c1)s/c(=N/C(=O)CN1CCN(CC1)CC)/[nH]2

STK580888
Synonyms: 7'- {[(E)- (4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]amino}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=N1)O

STK580891
Synonyms: 4- {[(E)- (5- methylfuran- 2- yl)methylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(o1)C)C

STK849502
Synonyms: 3- (2- hydroxyphenyl)- 5- (3- methoxypropyl)- 4- (3,4,5- trimethoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COCCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1ccccc1O

STK580901
Synonyms: 3- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- [5- (4- methylbenzyl)- 1,3- thiazol- 2- yl]propanamide
Smiles: Cc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)Nc1ncc(s1)Cc1ccc(cc1)C

STK580905
Synonyms: 4'- amino- 5- fluoro- 9',10'- dimethoxy- 2- oxo- 1,2,6',7'- tetrahydrospiro[indole- 3,2'- pyrido[2,1- a]isoquinoline]- 3'- carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc(F)cc1)cc(c(c3)OC)OC

STK580910
Synonyms: 11- methyl- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: OC1=C2C(=Nc3c(N=C2CCC1)cccc3)C

STK849505
Synonyms: 5- ethoxy- 2- (3- methyl- 4- phenyl- 1,2- oxazol- 5- yl)phenol
Smiles: CCOc1ccc(c(c1)O)c1onc(c1c1ccccc1)C

STK580924
Synonyms: 5,7- dimethyl- 1- [3- (3- methylbutoxy)phenyl]- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C)C

STK580925
Synonyms: 8- benzyl- 5- (2- methylpiperidin- 1- yl)- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidine
Smiles: CC1CCCCN1c1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1

STK849507
Synonyms: 1- benzyl- N- butyl- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK580929
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- (5- propyl- 1,3,4- thiadiazol- 2- yl)- 1H- pyrazole- 3- carboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O

STK580930
Synonyms: 5,6- di(furan- 2- yl)- N- [2- (morpholin- 4- yl)ethyl]furo[2,3- d]pyrimidin- 4- amine
Smiles: O1CCN(CC1)CCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1

STK580934
Synonyms: 2- [(2Z)- 1,3- benzothiazol- 2(3H)- ylideneamino]- 4- hydroxy- 6- phenylpyrimidine- 5- carbonitrile
Smiles: N#Cc1c(O)nc(nc1c1ccccc1)/N=c/1\sc2c([nH]1)cccc2

STK849509
Synonyms: 2- (3,5- dimethylphenoxy)- N- [4- (4- methoxyphenyl)- 1,2,5- oxadiazol- 3- yl]acetamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)COc1cc(C)cc(c1)C

STK849510
Synonyms: 1- benzyl- 9- methyl- N- (2- methylpropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CC(CNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)C

STK580947
Synonyms: 3- chloro- 4- [(3- chloro- 4- methylphenyl)amino]- 1- (naphthalen- 1- yl)- 1H- pyrrole- 2,5- dione
Smiles: ClC1=C(Nc2ccc(c(c2)Cl)C)C(=O)N(C1=O)c1cccc2c1cccc2

STK580949
Synonyms: 3,4- dihydroisoquinolin- 2(1H)- yl(4,5,6- trimethoxy- 1H- indol- 2- yl)methanone
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N1CCc2c(C1)cccc2

STK580951
Synonyms: (3R,3'S,3a'S,6a'R)- 3'- benzyl- 6- chloro- 5'- (4- fluorophenyl)- 7- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2Cc2ccccc2)C(=O)Nc2c1ccc(c2C)Cl

STK580954
Synonyms: 3- (4- chlorophenyl)- 2- methyl- 7- (4- methylpiperazin- 1- yl)- 5- phenylpyrazolo[1,5- a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)c1ccccc1

STK849511
Synonyms: 6,7- dimethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (pyridin- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(c2cccnc2)c2c(C1=O)oc1c(c2=O)cc(c(c1)C)C

STK580956
Synonyms: 4- amino- N- (2,4- dichlorophenyl)- 3- methyl- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxamide
Smiles: Clc1ccc(c(c1)Cl)NC(=O)c1sc(=S)n(c1N)C

STK849512
Synonyms: 2- (2- fluorobenzyl)- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)Cc1ccccc1F

STK580962
Synonyms: trans- 4- ({[1- (tert- butoxycarbonyl)- L- prolyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C([C@@H]1CCCN1C(=O)OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)O

STK580964
Synonyms: 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- {4- [(3,4- dimethylphenyl)sulfonyl]piperazin- 1- yl}ethanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C

STK580967
Synonyms: [(5S)- 5- (benzylcarbamoyl)- 3- (2- chlorophenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccccc1Cl)C(=O)NCc1ccccc1

STK849513
Synonyms: 2- [2- amino- 5- (2- ethoxyphenoxy)pyrimidin- 4- yl]- 5- [(4- chlorobenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)Cl)N

STK580968
Synonyms: (4Z)- 4- (hydroxyimino)- 3,6,6- trimethyl- N- (pyridin- 3- ylmethyl)- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)NCc1cccnc1

STK580974
Synonyms: 9- (2- chlorophenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1Cl

STK580975
Synonyms: 7- (piperazin- 1- yl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3N1CCNCC1)C

STK580985
Synonyms: 3- [4- (4- bromophenyl)- 1- methyl- 2,5- dioxo- 1,2,3,4,5,7- hexahydro- 6H- pyrrolo[3,4- d]pyrimidin- 6- yl]benzoicacid
Smiles: Brc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1cccc(c1)C(=O)O)C

STK849515
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NCCN2CCOCC2)n2c(n1)c(cn2)c1ccccc1)C

STK580991
Synonyms: (5E)- 3- cyclohexyl- 6- hydroxy- 5- (1- {[2- (1H- indol- 3- yl)ethyl]amino}ethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(\NCCc2c[nH]c3c2cccc3)/C)/C(=O)N1C1CCCCC1

STK580992
Synonyms: 2- [4- (4- chlorophenyl)- 3- methyl- 1,2- oxazol- 5- yl]- 5- [(2- methylbenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccccc1C

STK580994
Synonyms: 8- methoxy- 5- methyl- 3- [2- (piperidin- 1- yl)ethyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1n2C)CCN1CCCCC1

STK849516
Synonyms: 4- hydroxy- 8- methyl- 3- phenyl- 2H- pyrido[1,2- a]pyrimidin- 2- one
Smiles: Cc1ccn2c(c1)nc(=O)c(c2O)c1ccccc1

STK580995
Synonyms: 2- (butan- 2- yl)- 2,3- dihydro- 1H- isoindol- 1- imine
Smiles: CCC(N1Cc2c(C1=N)cccc2)C

STK580996
Synonyms: 4- (3- methoxyphenyl)- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 2- amine
Smiles: COc1cccc(c1)C1N=C(N)N=c2n1c1ccccc1[nH]2

STK580998
Synonyms: (3R)- 5- oxo- N- (1- phenylethyl)- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NC(c1ccccc1)C

STK581000
Synonyms: N- [(3- hydroxyquinoxalin- 1(2H)- yl)carbonyl]- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O)C

STK581003
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)OC)OC

STK581007
Synonyms: N'- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)pyridine- 4- carbohydrazide
Smiles: COc1c(OC)ccc2c1C(=O)OC2NNC(=O)c1ccncc1

STK581010
Synonyms: 2- (phenoxymethyl)- 12- phenyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: O=C1CCCC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)COc1ccccc1

STK581011
Synonyms: (5Z)- 5- {(2E)- 3- [4- (dimethylamino)phenyl]- 1- hydroxyprop- 2- en- 1- ylidene}- 6- hydroxy- 3- (3- methoxypropyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2ccc(cc2)N(C)C)/O)/C1=O)O

STK581017
Synonyms: 3- (4- chlorophenyl)- 5- methyl- N- (1- phenylethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NC(c1ccccc1)C

STK849519
Synonyms: (5E)- 5- (3,4- dihydroxybenzylidene)- 3- (4- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O

STK581020
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1cc(CCNC(=O)c2n[nH]c(c2)c2cc(C)ccc2O)ccc1OC

STK849520
Synonyms: N- {3- [(2- methoxyethyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}- 6,8- dimethyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: COCCNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)c(C)cc(c3)C)sc2c1CCCC2

STK581021
Synonyms: 1- {8- methyl- 10- phenyl- 2- [({[(E)- phenylmethylidene]amino}oxy)methyl]- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl}ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)CO/N=C/c1ccccc1

STK849521
Synonyms: 3- (4- chlorophenyl)- 2- methyl- 5- phenylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2O)c1ccccc1

STK581025
Synonyms: {(5S)- 5- [(4- acetylphenyl)carbamoyl]- 3- [4- (2- amino- 2- oxoethoxy)phenyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: NC(=O)COc1ccc(cc1)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1)C(=O)C

STK581028
Synonyms: 2- (4- tert- butylphenoxy)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)propan- 1- one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C(Oc1ccc(cc1)C(C)(C)C)C

STK581032
Synonyms: (2Z)- 6- [(4- ethenylbenzyl)oxy]- 2- [(3- methylthiophen- 2- yl)methylidene]- 1- benzofuran- 3(2H)- one
Smiles: C=Cc1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1sccc1C)/C2=O

STK581035
Synonyms: N- [(E)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]glycine
Smiles: OC(=O)CN/C=C/1\C(=NC(=NC1=O)O)O

STK581041
Synonyms: 5- (2- hydroxy- 3,5- dimethylphenyl)- N- [2- (4- sulfamoylphenyl)ethyl]- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)NCCc1ccc(cc1)S(=O)(=O)N)O

STK581042
Synonyms: 5- {[3- benzyl- 2- oxo- 4- (4- phenylpiperazin- 1- yl)- 2,3- dihydro- 1,3- thiazol- 5- yl]methylidene}- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(=Cc2sc(=O)n(c2N2CCN(CC2)c2ccccc2)Cc2ccccc2)C(=O)N1C

STK849524
Synonyms: 8- methyl- 2- [(4- methylphenyl)amino]- 4- phenyl- 4,9- dihydro- 6H- pyrimido[1,2- a][1,3,5]triazin- 6- one
Smiles: Cc1ccc(cc1)NC1=NC(c2ccccc2)n2c(=N1)[nH]c(cc2=O)C

STK581045
Synonyms: 5- (2,4- dimethoxyphenyl)- 7- hydroxy- 2- (methylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1cc(OC)ccc1C1CC(=Nc2c1c(=O)[nH]c(n2)SC)O

STK581047
Synonyms: (2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- (1H- indol- 3- yl)- N- (2- methoxyethyl)propanamide
Smiles: COCCNC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2

STK581049
Synonyms: 2- hydroxy- 4- ({[(5Z)- 5- (4- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)benzoicacid
Smiles: COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)O)C(=O)O

STK581050
Synonyms: 2- [(4- tert- butylphenoxy)methyl]- 9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccc(cc1)C(C)(C)C

STK581053
Synonyms: 4- methoxy- N- [3- oxo- 2- (trifluoromethyl)- 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazol- 2- yl]benzamide
Smiles: COc1ccc(cc1)C(=O)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F

STK581054
Synonyms: 2- [2- amino- 5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(2,4- dichlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl)N

STK581055
Synonyms: 2- {[3- cyano- 6- hydroxy- 4- (thiophen- 2- yl)- 4,5- dihydropyridin- 2- yl]sulfanyl}- N- [2- methyl- 5- (morpholin- 4- ylsulfonyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(ccc2C)S(=O)(=O)N2CCOCC2)N=C(CC1c1cccs1)O

STK581059
Synonyms: (2Z)- 3- [(2- fluoro- 5- methylphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1F)/c1scc(n1)c1cc2ccccc2oc1=O

STK581060
Synonyms: N- benzyl- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)NCc1ccccc1

STK581062
Synonyms: 1- [10- (furan- 2- yl)- 2- (2- hydroxyphenyl)- 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)c1ccccc1O

STK581064
Synonyms: 9- [4- (diethylamino)phenyl]- 8- hydroxy- 3,3,6,6- tetramethyl- 3,4,5,6,7,9- hexahydroacridin- 1(2H)- one
Smiles: CCN(c1ccc(cc1)C1C2=C(O)CC(CC2=NC2=C1C(=O)CC(C2)(C)C)(C)C)CC

STK581066
Synonyms: 1,1'- {[5- (2- methylpropyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinolin- 8- yl]imino}dipropan- 2- ol
Smiles: CC(CN(c1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C)CC(O)C)O

STK581071
Synonyms: 5,7- dimethyl- 1- (4- methylphenyl)- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK581072
Synonyms: 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- (4- hydroxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(cc1)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

STK581073
Synonyms: 4- {[(E)- thiophen- 2- ylmethylidene]amino}- 5- (trifluoromethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1/N=C/c1cccs1)C(F)(F)F

STK849526
Synonyms: 2- [2- amino- 5- (2- methoxyphenoxy)- 6- methylpyrimidin- 4- yl]- 5- (benzyloxy)phenol
Smiles: COc1ccccc1Oc1c(C)nc(nc1c1ccc(cc1O)OCc1ccccc1)N

STK581076
Synonyms: 3- chloro- 6- (3,5- dimethyl- 1H- pyrazol- 1- yl)pyridine- 2- carboxylicacid
Smiles: Cc1nn(c(c1)C)c1ccc(c(n1)C(=O)O)Cl

STK581077
Synonyms: 7,9- dibromo- 6- ethyl- 6H- indolo[2,3- b]quinoxaline
Smiles: CCn1c2c(Br)cc(cc2c2c1nc1ccccc1n2)Br

STK581078
Synonyms: 2- (benzylsulfanyl)- N- [(2Z)- 5,5- dioxido- 3- phenyltetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccccc1)CS(=O)(=O)C2)CSCc1ccccc1

STK581079
Synonyms: (3S)- N- {2- oxo- 2- [(1- phenylethyl)amino]ethyl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C(NC(c1ccccc1)C)CNC(=O)[C@H]1NCc2c(C1)cccc2

STK581081
Synonyms: 2'- hydroxy- 3- methyl- 1'- [3- (trifluoromethyl)phenyl]- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 4',6'(1'H)- dione
Smiles: CN1CCN2C(C1)C1(Cc3c2cccc3)C(=O)N=C(N(C1=O)c1cccc(c1)C(F)(F)F)O

STK581083
Synonyms: (2Z)- 2- [(2,4- dimethylphenyl)imino]- 4,7- dimethyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: CC1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1C)C)/nc2C

STK581084
Synonyms: 5- [(2- chlorobenzyl)oxy]- 2- [4- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1ccccc1Cl

STK581086
Synonyms: 8- (morpholin- 4- ium- 4- ylmethyl)- 3- (naphthalen- 2- yloxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F

STK849529
Synonyms: 5,6- dimethyl- 3- phenyl- N- (tetrahydrofuran- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1c(C)nc2n(c1NCC1CCCO1)ncc2c1ccccc1

STK581092
Synonyms: N- butyl- 4- chloro- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: CCCCN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O

STK581093
Synonyms: 8- (4- benzylpiperidin- 1- yl)- 6- hydroxy- 7- [2- hydroxy- 3- (propan- 2- yloxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)COC(C)C

STK581096
Synonyms: 4- hydroxy- 3- {(2- hydroxy- 4- oxo- 4,5- dihydrofuran- 3- yl)[2- (4- phenylpiperazin- 1- yl)phenyl]methyl}furan- 2(5H)- one
Smiles: OC1=C(C(=O)CO1)C(c1ccccc1N1CCN(CC1)c1ccccc1)C1=C(O)COC1=O

STK581100
Synonyms: 1- (3- chlorophenyl)- 2- (3- methoxypropyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCCN1C(=O)c2c(C1c1cccc(c1)Cl)c(=O)c1c(o2)cccc1

STK581102
Synonyms: 8- [3- (dimethylamino)propyl]- 4- hydroxy- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: CN(CCCn1c(C)c(n2c1nc1c2c(O)nc(=O)n1C)C)C

STK849531
Synonyms: 2- {[4- (3- chlorophenyl)piperazin- 1- yl]carbonyl}- 6- ethyl- 4H- chromen- 4- one
Smiles: CCc1ccc2c(c1)c(=O)cc(o2)C(=O)N1CCN(CC1)c1cccc(c1)Cl

STK581103
Synonyms: 4- (3- chlorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- (pyridin- 3- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Clc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK581107
Synonyms: 7- chloro- 3- (2- chlorophenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidine
Smiles: Cc1cc(Cl)n2c(n1)c(c(n2)C)c1ccccc1Cl

STK581108
Synonyms: 2- amino- 5,6- dimethyl- 4- (2,3,4- trimethoxyphenyl)pyridine- 3- carbonitrile
Smiles: COc1c(OC)c(OC)ccc1c1c(C)c(C)nc(c1C#N)N

STK581109
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (4- ethoxyphenyl)- 5- (2- hydroxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)OCC)c([nH]n2)c1cc(Cl)c(cc1O)C

STK581114
Synonyms: (1S)- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 3- methylbutan- 1- amine
Smiles: CC(C[C@@H](c1nnc(o1)SCc1ccc(cc1)F)N)C

STK581115
Synonyms: N- [5- hydroxy- 2- (2- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- methylpropanamide
Smiles: O=C(C(C)C)Nc1cc(O)nc2n1nc(n2)c1ccccc1C

STK581118
Synonyms: 7- chloro- 1- (3- chlorophenyl)- 2- [2- (3,4- dimethoxyphenyl)ethyl]- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)Cl)c(=O)c1c(o2)cc(c(c1)Cl)C

STK581119
Synonyms: N- benzyl- 5- fluoro- N- methyl- 1H- indole- 2- carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N(Cc1ccccc1)C

STK581121
Synonyms: 3- [2- (dimethylamino)ethyl]- 5- (furan- 2- yl)- 4- imino- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: CN(CCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)cc(cc1)O)C

STK581123
Synonyms: 5- methyl- 3- (pyridin- 3- ylmethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Cn1c2ccccc2c2c1c(=O)n(cn2)Cc1cccnc1

STK581129
Synonyms: (2Z)- N- (4- methoxyphenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanamide
Smiles: COc1ccc(cc1)NC(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK581135
Synonyms: 2- [(6- oxo- 6H- benzo[c]chromen- 3- yl)oxy]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)COc1ccc2c(c1)oc(=O)c1c2cccc1

STK581137
Synonyms: 2- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]carbonyl}- 3,6,6- trimethyl- 6,7- dihydro- 1- benzofuran- 4(5H)- one
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK849538
Synonyms: (2Z)- 3- oxo- 2- (3,4,5- trimethoxybenzylidene)- 2,3- dihydro- 1- benzofuran- 6- yl4- chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(OC)c(c(c1)OC)OC)/C2=O

STK849539
Synonyms: 4- (3- chlorophenyl)- 5- [2- (3,4- dimethoxyphenyl)ethyl]- 3- (2- hydroxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)Cl)c([nH]n2)c1ccccc1O

STK581140
Synonyms: 3- hydroxy- N- methylquinoxaline- 1(2H)- carbothioamide
Smiles: CNC(=S)N1CC(=Nc2c1cccc2)O

STK581144
Synonyms: N- (5- chloro- 2- cyanophenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)acetamide
Smiles: N#Cc1ccc(cc1NC(=O)CN1CCc2c(C1)cc1c(c2)OCCCO1)Cl

STK581147
Synonyms: N- [4- (dimethylamino)phenyl]- 2- (3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)Nc1ccc(cc1)N(C)C

STK581153
Synonyms: 4- {4- [2- (diphenylmethoxy)ethyl]piperazin- 1- yl}- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)CCOC(c2ccccc2)c2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C

STK581158
Synonyms: 1- [2- (4- methoxyphenyl)- 6,7- dihydro[1,3]thiazolo[5,4- c]pyridin- 5(4H)- yl]- 4- phenylbutan- 1- one
Smiles: COc1ccc(cc1)c1nc2c(s1)CN(CC2)C(=O)CCCc1ccccc1

STK581162
Synonyms: (5Z)- 5- (2H- chromen- 3- ylmethylidene)- 1- ethyl- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCN1C(=O)/C(=C\C2=Cc3c(OC2)cccc3)/C(=C(C1=O)C#N)C

STK581163
Synonyms: N'- (5,6- dimethylfuro[2,3- d]pyrimidin- 4- yl)- N,N- diethylpropane- 1,3- diamine
Smiles: CCN(CCCNc1ncnc2c1c(C)c(o2)C)CC

STK581164
Synonyms: N- (2,5- dimethylphenyl)- 2- hydroxy- 4- methyl- 6- (naphthalen- 1- yl)- 1,6- dihydropyrimidine- 5- carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)C1=C(C)N=C(NC1c1cccc2c1cccc2)O)C

STK581170
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- [2- (trifluoromethyl)phenyl]- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccccc1C(F)(F)F)O

STK581173
Synonyms: 6- amino- 4- hydroxy- 1- (pyridin- 4- ylmethyl)pyrimidin- 2(1H)- one
Smiles: Oc1cc(N)n(c(=O)n1)Cc1ccncc1

STK581174
Synonyms: 4,5,6- trimethoxy- N- (2- methoxyphenyl)- 1H- indole- 2- carboxamide
Smiles: COc1ccccc1NC(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC

STK581176
Synonyms: N- cyclohexyl- 6- methoxy- N- methyl- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N(C1CCCCC1)C

STK581177
Synonyms: (2S)- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)- N- [3- (trifluoromethyl)phenyl]propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1cccc(c1)C(F)(F)F

STK581181
Synonyms: 1- (4- fluorophenyl)- N- [2- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)ethyl]cyclopentanecarboxamide
Smiles: Fc1ccc(cc1)C1(CCCC1)C(=O)NCCc1nnc2n1cccc2

STK581184
Synonyms: 1- {[(2E)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]amino}- 1H- pyrrole- 2,5- dione
Smiles: Cc1cc(C)[nH]/c(=N\N2C(=O)C=CC2=O)/n1

STK581186
Synonyms: 5- fluoro- N- (quinolin- 6- yl)- 1H- indole- 2- carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)Nc1ccc2c(c1)cccn2

STK849546
Synonyms: 2- (3- hydroxypropyl)- 1'- methyl- 2H- spiro[chromeno[2,3- c]pyrrole- 1,3'- indole]- 2',3,9(1'H)- trione
Smiles: OCCCN1C(=O)c2c(C31c1ccccc1N(C3=O)C)c(=O)c1c(o2)cccc1

STK581191
Synonyms: 2- [(7- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 9- yl)oxy]- N- [3- methyl- 1- (pyridin- 2- yl)- 1H- pyrazol- 5- yl]acetamide
Smiles: O=C(Nc1cc(nn1c1ccccn1)C)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK849549
Synonyms: 3- chloro- N- [(2E)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCc1n[nH]/c(=N\C(=O)c2cccc(c2)Cl)/s1

STK581199
Synonyms: 5- fluoro- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1H- indole- 2- carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)NC12CC3CC(C2)CC(C1)C3

STK581202
Synonyms: 4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]- N- (pyridin- 2- yl)cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)Nc1ccccn1

STK581207
Synonyms: 4- ({[(5Z)- 5- (4- chlorobenzylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccc(cc2)Cl)/C1=O)Nc1ccc(c(c1)O)C(=O)O

STK581211
Synonyms: 2- [2- amino- 5- (4- methoxyphenyl)- 6- (trifluoromethyl)pyrimidin- 4- yl]- 5- [(4- chlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccc(cc1)Cl

STK581212
Synonyms: N- {3- [(furan- 2- ylmethyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}- 5- (2- hydroxy- 3,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)O

STK581213
Synonyms: 2- (2- chlorophenyl)- 4- (4- methoxyphenyl)- 1,2,3,4- tetrahydropyrimido[1,2- a]benzimidazole
Smiles: COc1ccc(cc1)C1CC(Nc2n1c1ccccc1n2)c1ccccc1Cl

STK581215
Synonyms: naphthalene- 1,2- dione
Smiles: O=C1C=Cc2c(C1=O)cccc2

STK581224
Synonyms: 7- (3,4- dichlorophenyl)- 3- (pyridin- 4- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccc(cc1Cl)n1ncc2c1ncn1c2nnc1c1ccncc1

STK581226
Synonyms: methyl(4- hydroxy- 3H- 1,5- benzodiazepin- 2- yl)acetate
Smiles: COC(=O)CC1=Nc2ccccc2N=C(C1)O

STK581229
Synonyms: 3- acetyl- 8- amino- 1',3'- dimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: Nc1ccc2c(c1)CC1(C3N2CCN(C3)C(=O)C)C(=O)N(C)C(=O)N(C1=O)C

STK849554
Synonyms: 8- (2,3- dimethoxyphenyl)- 3- (4- ethoxyphenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(c1OC)OC

STK581234
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (1,3- benzodioxol- 5- yl)- N'- [(E)- (2,3,4- trimethoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2N)ccc(c1OC)OC

STK849555
Synonyms: 1- benzyl- 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)cccc1)C

STK849557
Synonyms: methyl3- [(cyclopropylcarbonyl)amino]- 4- oxo- 2- sulfanyl- 3,4- dihydroquinazoline- 7- carboxylate
Smiles: COC(=O)c1ccc2c(c1)nc(n(c2=O)NC(=O)C1CC1)S

STK581240
Synonyms: ethyl5- (2- amino- 2- oxoethoxy)- 6- bromo- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)N)c(c2)Br)c1ccc(cc1)OC

STK581241
Synonyms: methylN- {[2- (pyridin- 3- yl)- 1,3- benzoxazol- 5- yl]carbamoyl}- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)nc(o2)c1cccnc1

STK581245
Synonyms: 2- [(2,3- dimethylphenoxy)methyl]- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1cccc(c1C)OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK581247
Synonyms: 7- chloro- 1- (3- fluorophenyl)- 2- (pyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1cccc(c1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK849560
Synonyms: N- [(2Z)- 5- (4- chlorobenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (2- chlorophenyl)- 5- methyl- 1,2- oxazole- 4- carboxamide
Smiles: Clc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2c(C)onc2c2ccccc2Cl)/s1

STK849561
Synonyms: 2- methyl- 3- phenyl- 8- (4- phenylpiperazin- 1- yl)- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCN(CC2)c2ccccc2)CCC1

STK581251
Synonyms: N- [(2- hydroxyquinolin- 4- yl)methyl]- N- (2- methoxyphenyl)pyridine- 4- carboxamide
Smiles: COc1ccccc1N(C(=O)c1ccncc1)Cc1cc(O)nc2c1cccc2

STK581256
Synonyms: N- [1- hydrazinyl- 3- (1H- indol- 3- yl)- 1- oxopropan- 2- yl]- 4- (3- methylbutoxy)benzamide(non- preferredname)
Smiles: NNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1ccc(cc1)OCCC(C)C

STK581259
Synonyms: 5- (2- hydroxyphenyl)- N- (4- methoxybenzyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1n[nH]c(c1)c1ccccc1O

STK849564
Synonyms: 3- amino- 6- (4- fluorophenyl)- 5- methylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: Fc1ccc(cc1)c1nc2sc(c(c2cc1C)N)C(=O)N

STK581262
Synonyms: N- ethyl- N- [(2- hydroxyquinolin- 4- yl)methyl]propanamide
Smiles: CCN(C(=O)CC)Cc1cc(O)nc2c1cccc2

STK581269
Synonyms: 3- (1H- benzimidazol- 2- yl)- 1- (4- ethylpiperazin- 1- yl)propan- 1- one
Smiles: CCN1CCN(CC1)C(=O)CCc1nc2c([nH]1)cccc2

STK581274
Synonyms: methyl4- [(3- {4- [(4- fluorobenzyl)oxy]- 2- hydroxyphenyl}- 1H- pyrazol- 4- yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)F

STK581279
Synonyms: 2- (benzylamino)- 4- (furan- 2- yl)- 8- methyl- 4,9- dihydro- 6H- pyrimido[1,2- a][1,3,5]triazin- 6- one
Smiles: Cc1cc(=O)n2c(=NC(=NC2c2ccco2)NCc2ccccc2)[nH]1

STK581282
Synonyms: 4- chloro- N- methyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C

STK581283
Synonyms: 4- [4- (benzyloxy)phenyl]- 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (2- hydroxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)OCc1ccccc1)c([nH]n2)c1cc(Cl)c(cc1O)C

STK581293
Synonyms: 2- benzyl- 12- phenyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: O=C1CCCC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)Cc1ccccc1

STK581294
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (3- ethoxyphenyl)- 5- (pyridin- 3- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK849571
Synonyms: 2,8,10- trimethyl- N- [2- (morpholin- 4- yl)ethyl]pyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: Cc1cc(NCCN2CCOCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK581300
Synonyms: (2E)- N- (3- bromobenzyl)- 3- (4- tert- butylphenyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)prop- 2- enamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(cc1)C(C)(C)C

STK581301
Synonyms: N- (2- methoxyethyl)- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 3- carboxamide
Smiles: COCCN(C(=O)c1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK581304
Synonyms: (2Z)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)- 1- [4- (trifluoromethoxy)phenyl]ethanone
Smiles: O=C(c1ccc(cc1)OC(F)(F)F)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK581307
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- [(4- fluorophenyl)(hydroxy)methylidene]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK581308
Synonyms: 9- (4- hydroxyphenyl)- 6,6- dimethyl- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: C=CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccc(cc1)O

STK581310
Synonyms: 3- [(2- fluoro- 5- nitrophenyl)amino]- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1cc(ccc1F)[N+](=O)[O-]

STK581317
Synonyms: 8- {[benzyl(methyl)amino]methyl}- 3- (3,4- dimethoxyphenyl)- 7- hydroxy- 4H- chromen- 4- one
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2CN(Cc1ccccc1)C)O

STK581321
Synonyms: 8- (3- chlorophenyl)- 10- methyl- 11- phenyl- 2- (pyridin- 4- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1ccccc1)nc(n3)c1ccncc1)C

STK581322
Synonyms: 1- tert- butyl4- (6- chloro- 2- oxo- 4- phenyl- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1

STK581323
Synonyms: 7'- ({(Z)- [4- hydroxy- 1- (3- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}amino)- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK849574
Synonyms: 3- (2- bromophenoxy)- 7- [(2- methylprop- 2- en- 1- yl)oxy]- 4H- chromen- 4- one
Smiles: CC(=C)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1Br

STK581325
Synonyms: 7- chloro- 6- methyl- 1- [4- (methylsulfanyl)phenyl]- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CSc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK581326
Synonyms: 2- [(6- chloropyridin- 3- yl)sulfonyl]- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1ccc(nc1)Cl

STK849576
Synonyms: 2- (methylsulfanyl)- 5- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: CSc1nn2c(n1)nc(cc2O)c1ccccc1

STK581331
Synonyms: 5- (2- hydroxy- 3,5- dimethylphenyl)- N- {4- [(4- methylpiperidin- 1- yl)sulfonyl]phenyl}- 1H- pyrazole- 3- carboxamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(C)cc(c1O)C

STK581332
Synonyms: N- [5- hydroxy- 2- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]propanamide
Smiles: CCC(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK581333
Synonyms: 6,8- dibromo- 2,4- dihydroxy- N- (1- phenylethyl)quinoline- 3- carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NC(c1ccccc1)C

STK581334
Synonyms: (5Z)- 4- hydroxy- 5- ({1- [2- (morpholin- 4- yl)- 2- oxoethyl]- 1H- indol- 3- yl}methylidene)- 1,3- thiazol- 2(5H)- one
Smiles: O=C1N=C(/C(=C/c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/S1)O

STK849577
Synonyms: 3- (2- hydroxyphenyl)- 4- [4- (methylsulfanyl)phenyl]- 5- propyl- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: CCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O

STK849578
Synonyms: 2- (4- chlorophenyl)- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- ol
Smiles: Clc1ccc(cc1)c1nn2c(c1)nc1c(c2O)CCCC1

STK581348
Synonyms: {2- [(3aR,4R,4aR,7aS,8R,8aR)- 6- methyl- 5,7- dioxo- 4,4a,5,6,7,7a,8,8a- octahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 3- yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C

STK581349
Synonyms: 2- [(6- ethyl- 4- methylquinazolin- 2- yl)amino]quinazolin- 4- ol
Smiles: CCc1ccc2c(c1)c(C)nc(n2)Nc1nc(O)c2c(n1)cccc2

STK581350
Synonyms: (5E)- 3- (3- methoxypropyl)- 5- [(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COCCCN1C(=S)S/C(=C/c2ccc3c(c2)CC(O3)C)/C1=O

STK849583
Synonyms: 1- (3- chlorophenyl)- 4- oxo- N- [(2E)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 1,4- dihydropyridazine- 3- carboxamide
Smiles: Clc1cccc(c1)n1ccc(=O)c(n1)C(=O)/N=c/1\[nH]nc(s1)C(C)C

STK581357
Synonyms: 7- [4- (4- chlorobenzyl)piperazin- 1- yl]- 2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)Cc2ccc(cc2)Cl)n2c(n1)c(c1ccccc1)c(n2)C

STK581358
Synonyms: (5E)- 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 2- sulfanyl- 1- (3,4,5- trimethoxyphenyl)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)S

STK581359
Synonyms: N,N- diethyl- 3- [7- (furan- 2- yl)- 8- imino- 7H- benzo[7,8]chromeno[2,3- d]pyrimidin- 9(8H)- yl]propan- 1- amine
Smiles: CCN(CCCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)c2ccccc2cc1)CC

STK581364
Synonyms: 8- ethyl- 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)CC)C

STK849584
Synonyms: ethyl[7- hydroxy- 3- (4- methoxyphenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 5- yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(c1ccc(cc1)OC)c(n2)C

STK849585
Synonyms: 8- (2- methoxyethyl)- 1,3,6,7- tetramethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C

STK581370
Synonyms: 6- methoxy- N- (pyridin- 2- ylmethyl)- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCc1ccccn1

STK581371
Synonyms: 3- (4- hydroxy- 5- methyl- 2- oxopyrimidin- 1(2H)- yl)propanoicacid
Smiles: OC(=O)CCn1cc(C)c(nc1=O)O

STK581374
Synonyms: 6- {[(4- chlorophenyl)sulfanyl]methyl}- 2- (4- methylpiperazin- 1- yl)pyrimidin- 4- ol
Smiles: CN1CCN(CC1)c1nc(CSc2ccc(cc2)Cl)cc(n1)O

STK581377
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- [2- (3,4- dimethoxyphenyl)ethyl]- 4- (2- fluorophenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(Cl)c(cc1O)C

STK849588
Synonyms: N- (2,5- dimethoxyphenyl)quinoxaline- 6- carboxamide
Smiles: COc1ccc(cc1NC(=O)c1ccc2c(c1)nccn2)OC

STK849589
Synonyms: 2- [(7- methoxy- 4- methylquinazolin- 2- yl)amino]- 6- phenyl- 5,6- dihydropyrimidin- 4- ol
Smiles: COc1ccc2c(c1)nc(nc2C)NC1=NC(CC(=N1)O)c1ccccc1

STK581384
Synonyms: (2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- N- (3- methoxyphenyl)- 3- phenylpropanamide
Smiles: COc1cccc(c1)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1

STK581388
Synonyms: 1- {5- methyl- 1- [6- (2- methylpiperidin- 1- yl)pyrimidin- 4- yl]- 1H- pyrazol- 4- yl}ethanone
Smiles: CC1CCCCN1c1ncnc(c1)n1ncc(c1C)C(=O)C

STK581400
Synonyms: 4- fluoro- N- [5- hydroxy- 2- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK581405
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- (3- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O

STK581406
Synonyms: {[(2Z)- 2- (2- chloro- 6- fluorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O

STK581407
Synonyms: (1Z)- 1- {[(4- bromophenyl)sulfonyl]methylidene}- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccc(cc1)Br

STK849592
Synonyms: 2- {4- [3- (2- methoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1OC)C

STK581418
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (5- chloropyridin- 2- yl)acetamide
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cn1)Cl

STK581419
Synonyms: 3- [1- (4- benzylpiperidin- 1- yl)- 1- oxobutan- 2- yl]quinazolin- 4(3H)- one
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)N1CCC(CC1)Cc1ccccc1

STK849593
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl]oxy}acetamide
Smiles: NC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F

STK849594
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- (3- hydroxy- 2H- 1,4- benzothiazin- 2- yl)acetamide
Smiles: O=C(CC1Sc2ccccc2N=C1O)Nc1ccc2c(c1)OCCO2

STK581425
Synonyms: 2- (piperazin- 1- ylmethyl)quinazolin- 4- ol
Smiles: Oc1nc(CN2CCNCC2)nc2c1cccc2

STK581427
Synonyms: (5Z)- 5- [4- (benzyloxy)benzylidene]- 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/c2ccc(cc2)OCc2ccccc2)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK581433
Synonyms: 6- fluoro- 2- methyl- N- (tetrahydrofuran- 2- ylmethyl)quinoline- 3- carboxamide
Smiles: Fc1ccc2c(c1)cc(c(n2)C)C(=O)NCC1CCCO1

STK581434
Synonyms: 4- {[(3Z)- 1- ethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 4- oxobutanoicacid
Smiles: CCn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1ccccc1c2

STK581437
Synonyms: N- {2- [6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]ethyl}- 4- phenoxybenzamide
Smiles: Clc1cc(c2n(c1)c(CCNC(=O)c1ccc(cc1)Oc1ccccc1)nn2)C(F)(F)F

STK581438
Synonyms: 3- methyl- 2- oxo- N- [3- (2- oxopyrrolidin- 1- yl)propyl]- 2,3- dihydro- 1,3- benzoxazole- 6- sulfonamide
Smiles: O=C1CCCN1CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C

STK849599
Synonyms: 3- (4- bromophenyl)- 8- (5- methylfuran- 2- yl)- 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(o1)C)c1ccc(cc1)Br

STK849600
Synonyms: 3- (2- hydroxyphenyl)- 5- (pyridin- 4- ylmethyl)- 4- (3,4,5- trimethoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1c(OC)cc(cc1OC)C1N(Cc2ccncc2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK849601
Synonyms: 8- methyl- 1- [2- (morpholin- 4- yl)ethyl]- 2,5- dioxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carbonitrile
Smiles: N#Cc1cc2c(n(c1=O)CCN1CCOCC1)nc1n(c2=O)cc(cc1)C

STK581452
Synonyms: N- (2- benzyl- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1cc(O)nc2n1nc(n2)Cc1ccccc1

STK849602
Synonyms: ethyl4- [5- chloro- 2- (pyridin- 2- yl)- 1H- indol- 3- yl]butanoate
Smiles: CCOC(=O)CCCc1c([nH]c2c1cc(Cl)cc2)c1ccccn1

STK581454
Synonyms: 4- [(4- ethylpiperazin- 1- yl)methyl]- 7,8- dimethyl- 2H- chromen- 2- one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2C)C

STK581456
Synonyms:
Smiles: Clc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STK849605
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- oxo- N- (4- propoxybenzyl)- 4H- chromene- 2- carboxamide
Smiles: CCCOc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=O)(=O)C1

STK581460
Synonyms: 5- (2,5- dimethoxyphenyl)- 7- hydroxy- 1- methyl- 2- (methylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1C1CC(=Nc2c1c(=O)nc(n2C)SC)O)OC

STK581464
Synonyms:
Smiles: CCC([C@@H](C(=O)NCc1ccc(cc1)C)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK581466
Synonyms: (5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)[4- (3- methoxyphenyl)piperazin- 1- yl]methanone
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)c1nn2c(n1)nc(cc2C)C

STK581467
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: O=C(C12CCC(C1)C(C2=C)(C)C)N/N=C/c1ccccc1Cl

STK581468
Synonyms: (5Z)- 1- benzyl- 5- [1- propanoyl- 5- (thiophen- 2- yl)pyrazolidin- 3- ylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(=O)N1N/C(=C\2/C(=O)NC(=O)N(C2=O)Cc2ccccc2)/CC1c1cccs1

STK581470
Synonyms: N- benzyl- 2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NCc2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C

STK849607
Synonyms: 3- (furan- 2- ylmethyl)- 8- (naphthalen- 1- yl)- 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)CC1c1cccc2c1cccc2)Cc1ccco1

STK581472
Synonyms: 5- [(2- chlorobenzyl)oxy]- 2- (3- methyl- 4- phenyl- 1,2- oxazol- 5- yl)phenol
Smiles: Oc1cc(ccc1c1onc(c1c1ccccc1)C)OCc1ccccc1Cl

STK581473
Synonyms: 9- hydroxy- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazoline- 3- carbonitrile
Smiles: N#Cc1cnn2c1nc1CCCCc1c2O

STK849608
Synonyms: N- cyclohexyl- N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)C1CCCCC1

STK849609
Synonyms: 6- benzyl- 3- (4- methoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1ccc(cc1)c1c(C)nn2c1nc(C)c(c2O)Cc1ccccc1

STK849610
Synonyms: 5- (2- hydroxyethyl)- 3- (2- hydroxyphenyl)- 4- [4- (methylsulfanyl)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O

STK581482
Synonyms: 2- hydroxy- N'- [(E)- (5- methoxy- 1H- indol- 3- yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1)c(/C=N/NC(=O)c1ccccc1O)c[nH]2

STK581483
Synonyms: 2- [(4,7- dimethylquinazolin- 2- yl)amino]- 5- ethyl- 6- methylpyrimidin- 4- ol
Smiles: CCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)cc(cc2)C

STK849611
Synonyms: N- [(2Z)- 6- chloro- 1,3- benzothiazol- 2(3H)- ylidene]- 6- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]c2c(s1)cc(cc2)Cl

STK581487
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O)C

STK849612
Synonyms: 4- (4- chloro- 2- methylphenyl)- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(c(c1)C)n1c(=S)[nH]nc1c1ccncc1

STK581492
Synonyms: ethyl[5- oxo- 2- phenyl- 1- (pyridin- 4- ylmethyl)- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)Cc1ccncc1)c1ccccc1)C(F)(F)F

STK581493
Synonyms: 2- [(6- chloropyridin- 3- yl)sulfonyl]- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1ccc(nc1)Cl

STK581500
Synonyms: N- [2- (3- fluorophenyl)ethyl]- 2- (7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCCc1cccc(c1)F

STK849614
Synonyms: 2- (furan- 2- yl)- 7- (2- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nc(n1)c1ccco1

STK849615
Synonyms: 3- (4- methoxyphenyl)- 6- oxo- 8- (3,4,5- trimethoxyphenyl)- 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)c1cc(OC)c(c(c1)OC)OC

STK581507
Synonyms: N- [3- (4- fluorophenyl)- 3- (furan- 2- yl)propyl]- 5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Fc1ccc(cc1)C(c1ccco1)CCNC(=O)c1nc2n(n1)c(C)cc(n2)C

STK581509
Synonyms: N- [4- (dimethylamino)benzyl]- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- ethoxybenzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C

STK849616
Synonyms: 2- methyl- 5- [(E)- 2- nitroethenyl]- 2,3- dihydro- 1- benzofuran
Smiles: CC1Oc2c(C1)cc(cc2)/C=C/[N+](=O)[O-]

STK581510
Synonyms: 4- (acetylamino)phenyl(2E)- (4- hydroxy- 2- oxo- 1,3- thiazol- 5(2H)- ylidene)ethanoate
Smiles: CC(=O)Nc1ccc(cc1)OC(=O)/C=C\1/SC(=O)N=C1O

STK581513
Synonyms: (5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)[2- (pyridin- 3- yl)piperidin- 1- yl]methanone
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N1CCCCC1c1cccnc1

STK581518
Synonyms: N- [5- hydroxy- 2- (3- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- methylpropanamide
Smiles: O=C(C(C)C)Nc1cc(O)nc2n1nc(n2)c1cccc(c1)C

STK581520
Synonyms: 2- (benzylsulfanyl)- 5- (propan- 2- yl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: CC(c1cc(O)n2c(n1)nc(n2)SCc1ccccc1)C

STK581522
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 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)Cl

STK849619
Synonyms: 3- (2,4- dimethoxyphenyl)- 8- (3- nitrophenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(c1)[N+](=O)[O-]

STK581526
Synonyms: N- [3- (dimethylamino)propyl]- 6- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCCCN(C)C

STK849620
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 1- (3- methoxypropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCCCn1ccnc1

STK581531
Synonyms: ethyl[3- (3,4- dimethoxyphenyl)- 7- hydroxypyrazolo[1,5- a]pyrimidin- 5- yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(cn2)c1ccc(c(c1)OC)OC

STK581532
Synonyms: (5Z)- 5- {[2,5- dimethyl- 1- (3- methylphenyl)- 1H- pyrrol- 3- yl]methylidene}- 4- hydroxy- 1,5- dihydro- 2H- imidazol- 2- one
Smiles: Cc1cccc(c1)n1c(C)cc(c1C)/C=C/1\NC(=O)N=C1O

STK581534
Synonyms: 7- methyl- 2- oxo- 4- propyl- 2H- chromen- 5- ylN- [(4- methylphenyl)sulfonyl]- L- valinate
Smiles: CCCc1cc(=O)oc2c1c(OC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C)cc(c2)C

STK581538
Synonyms: (5Z)- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- methyl- 2,6- dioxo- 5- (4- propoxybenzylidene)- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCCOc1ccc(cc1)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N

STK581539
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1ccc2c(c1)nc(o2)c1cccnc1)C

STK581541
Synonyms: 8- amino- 3- (2- fluorophenyl)- 1',3'- dimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: Nc1ccc2c(c1)CC1(C3N2CCN(C3)c2ccccc2F)C(=O)N(C)C(=O)N(C1=O)C

STK581543
Synonyms: (5Z)- 5- [(2,5- dimethyl- 1- phenyl- 1H- pyrrol- 3- yl)methylidene]- 1- ethyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccccc2)C)/C1=O)S

STK849621
Synonyms: (6E)- 4- (1- benzofuran- 2- yl)- 6- [(3,4- dichlorophenyl)imino]- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1[nH]/c(=N\c2ccc(c(c2)Cl)Cl)/nc(n1)c1cc2c(o1)cccc2

STK849622
Synonyms: 1- (6- methylthieno[2,3- d]pyrimidin- 4- yl)piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ncnc2c1cc(s2)C

STK849623
Synonyms: 5- {[4,6- bis(propan- 2- ylamino)- 1,3,5- triazin- 2- yl]sulfanyl}- 3- methyl- 1,3,4- thiadiazole- 2(3H)- thione
Smiles: CC(Nc1nc(nc(n1)NC(C)C)Sc1nn(c(=S)s1)C)C

STK581547
Synonyms: N- [(Z)- (1- hexyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]histidine
Smiles: CCCCCCN1C(=O)N=C(/C(=C/NC(C(=O)O)Cc2c[nH]cn2)/C1=O)O

STK581551
Synonyms: 1- (3- ethoxyphenyl)- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581560
Synonyms: 5- (furan- 2- yl)- 3'- (4- methylphenyl)- 2- (methylsulfonyl)- 1'- phenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazole
Smiles: Cc1ccc(cc1)c1nn(cc1C1CC(=NN1S(=O)(=O)C)c1ccco1)c1ccccc1

STK581564
Synonyms: 3- (5- chloro- 2- methylphenyl)- 6- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)c1cc(Cl)ccc1C)O

STK581567
Synonyms: 4- (2,4- dichlorophenoxy)- N- [2- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)ethyl]butanamide
Smiles: O=C(NCCc1nnc2n1cccc2)CCCOc1ccc(cc1Cl)Cl

STK581572
Synonyms: (2S)- N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- (1- methyl- 2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)- 3- phenylpropanamide
Smiles: O=c1n([C@H](C(=O)NCCC2=CCCCC2)Cc2ccccc2)c(=O)c2c(n1C)cccc2

STK581573
Synonyms: 5- ethoxy- 2- [4- phenyl- 3- (trifluoromethyl)- 1,2- oxazol- 5- yl]phenol
Smiles: CCOc1ccc(c(c1)O)c1onc(c1c1ccccc1)C(F)(F)F

STK581574
Synonyms: 2- (3,4- dimethylphenoxy)- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2CCn3c(c2cc1OC)cc(nc3=O)Oc1ccc(c(c1)C)C

STK581575
Synonyms: 5- (2- hydroxy- 3,4- dimethylphenyl)- N- (pyridin- 3- yl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1cccnc1

STK581576
Synonyms: 3- benzyl- 9- chloro- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Clc1cccc2c1c1ncn(c(=O)c1[nH]2)Cc1ccccc1

STK581578
Synonyms: 2,8,10- trimethyl- 4- (4- phenylpiperazin- 1- yl)pyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)c2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C

STK581580
Synonyms: N,N- dimethyl- N'- (8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)propane- 1,3- diamine
Smiles: CN(CCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C)C

STK581582
Synonyms: tert- butyl(3S)- 3- [(4- methoxyphenyl)carbamoyl]- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: COc1ccc(cc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK849628
Synonyms: propan- 2- yl6- bromo- 5- (2- ethoxy- 2- oxoethoxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)COc1cc2c(cc1Br)oc(c2C(=O)OC(C)C)C

STK581584
Synonyms: 2,2'- dimethylbiphenyl- 4,4'- diamine
Smiles: Nc1ccc(c(c1)C)c1ccc(cc1C)N

STK849631
Synonyms: N- benzyl- 3- (3,4- dimethoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccc(cc1OC)c1c(C)nn2c1nc(C)cc2NCc1ccccc1

STK581588
Synonyms: N- (3,5- dichlorophenyl)- 2- methyl- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- amine
Smiles: Clc1cc(cc(c1)Cl)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK849632
Synonyms: (2E)- 2- [2- (isoquinolin- 1- yl)cyclohexylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C/1\CCCCC1c1nccc2c1cccc2

STK581591
Synonyms: methylN- [(3- oxo- 3,4- dihydroquinoxalin- 1(2H)- yl)carbonyl]- L- phenylalaninate
Smiles: COC(=O)[C@@H](NC(=O)N1CC(=O)Nc2c1cccc2)Cc1ccccc1

STK581594
Synonyms: 2- {[2- chloro- 5- (trifluoromethyl)phenyl]sulfonyl}- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(C(c2cc1OC)C)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F

STK849634
Synonyms: N- (4- methoxybenzyl)- 1- (3- methoxypropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccc(cc1)OC

STK581595
Synonyms: 6- chloro- 7- methyl- 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)cc(c(c3)Cl)C)/s1

STK581596
Synonyms: 5- chloro- N- [2- (furan- 2- yl)- 2- (pyrrolidin- 1- yl)ethyl]- 3- methyl- 1- benzofuran- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(C)c(o2)C(=O)NCC(c1ccco1)N1CCCC1

STK581598
Synonyms: 5- [(6- methoxy- 4- oxo- 4H- chromen- 3- yl)methylidene]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc2c(c1)c(=O)c(co2)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK581602
Synonyms: 8,8- dimethyl- 8,9- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]tetrazolo[1,5- a]pyrimidin- 10- ol
Smiles: Oc1c2c(sc3c2CC(C)(C)OC3)nc2n1nnn2

STK581608
Synonyms: (3R)- 2,2- dimethyl- 5- oxo- N- (propan- 2- yl)- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CC(NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK581617
Synonyms: 3- (benzylsulfanyl)- 8,8- dimethyl- 5- phenyl- 7,10- dihydro- 8H- pyrano[3,4- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)nc(n1c2nnc1SCc1ccccc1)c1ccccc1

STK849635
Synonyms: 1- (3- bromophenyl)- 7- chloro- 2- (2- hydroxyethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)Br)c(=O)c1c(o2)ccc(c1)Cl

STK581622
Synonyms: 5- ethyl- 6- methyl- 2- (morpholin- 4- yl)pyrimidin- 4- ol
Smiles: CCc1c(C)nc(nc1O)N1CCOCC1

STK849636
Synonyms: 5- [2- (4- methoxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4(5H)- ylidene]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)C1CC(=C2C(=O)N(C)C(=O)N(C2=O)C)Nc2c(S1)cccc2

STK581626
Synonyms: benzyl[4- (dimethylamino)phenyl][hydroxy(pyridin- 3- yl)methyl]phosphinate
Smiles: CN(c1ccc(cc1)P(=O)(C(c1cccnc1)O)OCc1ccccc1)C

STK581627
Synonyms: 6- chloro- 7- methyl- 4- [(2- methylpiperidin- 1- yl)methyl]- 2H- chromen- 2- one
Smiles: CC1CCCCN1Cc1cc(=O)oc2c1cc(Cl)c(c2)C

STK581632
Synonyms: 3- (2- methyl- 1H- benzimidazol- 1- yl)- N- (pyridin- 2- ylmethyl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCc1ccccn1

STK581633
Synonyms: (1S)- 1- {5- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethanamine
Smiles: N[C@H](c1nnc(o1)SCC(=C)C)Cc1ccccc1

STK581635
Synonyms: N- (2,5- dimethoxyphenyl)- 5- (2- hydroxy- 4,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C)OC

STK581636
Synonyms: N- [(1- ethylpyrrolidin- 2- yl)methyl]- 5- fluoro- 1H- indole- 2- carboxamide
Smiles: CCN1CCCC1CNC(=O)c1cc2c([nH]1)ccc(c2)F

STK849638
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- N- (4- methoxybenzyl)- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: COc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=O)(=O)C1

STK581639
Synonyms: 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 2- (pyridin- 2- yl)- 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)c1ccccn1)c1ccccc1

STK849639
Synonyms: 3- (2- methoxyethyl)- 1,7- dimethyl- 8- (4- methylphenyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(cc1)C)C

STK581646
Synonyms: 2- (5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)- N- (pyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccccn1)Cc1nn2c(n1)nc(cc2C)C

STK581652
Synonyms: 2- [2- amino- 5- (2- methoxyphenyl)pyrimidin- 4- yl]- 5- [(3,4- dichlorobenzyl)oxy]phenol
Smiles: COc1ccccc1c1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N

STK581653
Synonyms: N,1- dibenzyl- N- butyl- 7- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCCCN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C)Cc1ccccc1

STK581654
Synonyms: N- (2,5- dimethylphenyl)- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)C

STK849641
Synonyms: ethyl[(2Z)- 2- {[(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]imino}- 2,3- dihydro- 1,3- thiazol- 4- yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)/C=C/c2ccc(cc2)OC)/[nH]1

STK581656
Synonyms: propan- 2- yl{[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)C

STK581657
Synonyms: 2- [(5Z)- 5- (furan- 2- ylmethylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]- N- [2- (1H- indol- 3- yl)ethyl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccco2)/C1=O)NCCc1c[nH]c2c1cccc2

STK581658
Synonyms: (2E)- 2- (4- hydroxyquinazolin- 2- yl)- 3- (2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)CC(O2)C)/c1nc(O)c2c(n1)cccc2

STK581661
Synonyms: methylN- [(5- chloro- 2- methylphenyl)carbamoyl]- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc(Cl)ccc1C)CC(C)C

STK581662
Synonyms: methyl{[6- cyano- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C

STK581663
Synonyms: 1- (1- {6- [(2- methoxyphenyl)amino]- 2- methylpyrimidin- 4- yl}- 5- methyl- 1H- pyrazol- 4- yl)ethanone
Smiles: COc1ccccc1Nc1nc(C)nc(c1)n1ncc(c1C)C(=O)C

STK581668
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(pyridin- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carboxylicacid
Smiles: OC(=O)c1nnn(c1CSc1ccccn1)c1nonc1N

STK581674
Synonyms: ethyl6- hydroxy- 4- (4- methoxyphenyl)- 2- (4- methylpiperazin- 1- yl)- 4,5- dihydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1C(=NC(=NC1c1ccc(cc1)OC)N1CCN(CC1)C)O

STK849644
Synonyms: methyl4- (7- chloro- 2- methyl- 3,9- dioxo- 1,2,3,9- tetrahydrochromeno[2,3- c]pyrrol- 1- yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK849645
Synonyms: 2- methyl- 7- (2- methyl- 1H- imidazol- 1- yl)- 3,5- diphenylpyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2n1ccnc1C)c1ccccc1

STK581683
Synonyms: 5- (2- chlorophenyl)- 7- hydroxy- 2- methyl- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(3H)- one
Smiles: OC1=Nc2nc(C)[nH]c(=O)c2C(C1)c1ccccc1Cl

STK849646
Synonyms: N- [(2E)- 5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 7- methyl- 1- oxo- 3,4- dihydro- 1H- isochromene- 3- carboxamide
Smiles: CCSc1n[nH]/c(=N\C(=O)C2OC(=O)c3c(C2)ccc(c3)C)/s1

STK581688
Synonyms: N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CCc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O

STK581693
Synonyms: 2- (4- oxo- 3,4- dihydro- 2H- 1,3- benzoxazin- 2- yl)phenyl2- methylprop- 2- enoate
Smiles: CC(=C)C(=O)Oc1ccccc1C1NC(=O)c2c(O1)cccc2

STK849649
Synonyms: 2- {[4- (2- methoxyphenyl)piperazin- 1- yl]carbonyl}- 7- methyl- 4H- chromen- 4- one
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1cc(=O)c2c(o1)cc(cc2)C

STK849650
Synonyms: (2Z)- 2- (3- methylbenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylmethanesulfonate
Smiles: Cc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)C

STK581694
Synonyms: 3- cyclohexyl- 5- [(naphthalen- 1- ylmethyl)sulfanyl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Nn1c(SCc2cccc3c2cccc3)nnc1C1CCCCC1

STK581697
Synonyms: 6- hydroxy- 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 8- (piperazin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCNCC1)COc1ccccc1

STK581699
Synonyms: 5- (2- chlorobenzyl)- 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (4- hydroxy- 3- methoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cc(ccc1O)C1N(Cc2ccccc2Cl)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK581702
Synonyms: 4- hydroxy- 1,6,7- trimethyl- 8- phenyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Oc1nc(=O)n(c2c1n1c(n2)n(c(c1C)C)c1ccccc1)C

STK581705
Synonyms: N,N- dimethyl- N'- (2- methyl- 3,5- diphenylpyrazolo[1,5- a]pyrimidin- 7- yl)propane- 1,3- diamine
Smiles: CN(CCCNc1cc(nc2n1nc(c2c1ccccc1)C)c1ccccc1)C