 | | XXU | | Name: | 2-[6-(4-acetylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-3(4H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide | | Formula: | C24 H25 Cl2 N5 O3 | | SMILES: | O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C(C)=Nc2cc1 | | InChi: | InChI=1S/C24H25Cl2N5O3/c1-15-28-22-6-4-18(30-9-7-29(8-10-30)16(2)32)12-19(22)24(34)31(15)14-23(33)27-13-17-3-5-20(25)21(26)11-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,33) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-[6-(4-acetylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-3(4H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide |
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 | | A1H0C | | Name: | 4-chloranyl-2-(2-naphthalen-1-yloxyethanoylamino)benzoic acid | | Formula: | C19 H14 Cl N O4 | | SMILES: | OC(=O)c1ccc(Cl)cc1NC(=O)COc2cccc3ccccc23 | | InChi: | InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24) | | Definition date: | 2023-12-15 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-chloranyl-2-(2-naphthalen-1-yloxyethanoylamino)benzoic acid |
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 | | YOC | | Name: | [2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate | | Formula: | C23 H25 F4 N5 O3 | | SMILES: | FC(F)(F)c1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1 | | InChi: | InChI=1S/C23H25F4N5O3/c24-17-10-16(23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate |
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 | | YBB | | Name: | 4-(pyrrolidin-1-yl)-3-{(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl}benzamide | | Formula: | C20 H19 F3 N2 O2 | | SMILES: | FC(F)(F)Oc1ccc(cc1)/C=C/c1cc(ccc1N1CCCC1)C(N)=O | | InChi: | InChI=1S/C20H19F3N2O2/c21-20(22,23)27-17-8-4-14(5-9-17)3-6-15-13-16(19(24)26)7-10-18(15)25-11-1-2-12-25/h3-10,13H,1-2,11-12H2,(H2,24,26) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-(pyrrolidin-1-yl)-3-{(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl}benzamide |
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 | | XJ6 | | Name: | (2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone | | Formula: | C19 H19 Cl N4 O2 | | SMILES: | O=C(N1CCC21COC2)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1 | | InChi: | InChI=1S/C19H19ClN4O2/c20-15-2-1-12-6-16(7-13(12)5-15)23-18-21-8-14(9-22-18)17(25)24-4-3-19(24)10-26-11-19/h1-2,5,8-9,16H,3-4,6-7,10-11H2,(H,21,22,23)/t16-/m0/s1 | | Definition date: | 2023-06-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone |
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 | | YBF | | Name: | (4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide | | Formula: | C27 H20 N4 O3 | | SMILES: | [O-][N+](=O)c1cc(ccc1c1cn(Cc2ccccc2)c2ncccc21)C(=O)Nc1ccccc1 | | InChi: | InChI=1S/C27H20N4O3/c32-27(29-21-10-5-2-6-11-21)20-13-14-22(25(16-20)31(33)34)24-18-30(17-19-8-3-1-4-9-19)26-23(24)12-7-15-28-26/h1-16,18H,17H2,(H,29,32) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide |
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 | | YOI | | Name: | (2-{[(2R)-4,6-dichloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone | | Formula: | C19 H18 Cl2 N4 O2 | | SMILES: | O=C(N1CCC21COC2)c1cnc(NC2Cc3cc(Cl)cc(Cl)c3C2)nc1 | | InChi: | InChI=1S/C19H18Cl2N4O2/c20-13-3-11-4-14(6-15(11)16(21)5-13)24-18-22-7-12(8-23-18)17(26)25-2-1-19(25)9-27-10-19/h3,5,7-8,14H,1-2,4,6,9-10H2,(H,22,23,24)/t14-/m1/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2-{[(2R)-4,6-dichloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone |
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 | | XJC | | Name: | 4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}benzene-1-sulfonamide | | Formula: | C26 H31 Cl N4 O4 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2[NH]nc(OCc3cc(C)c(Cl)cc3C(C)(C)C)c2CC1 | | InChi: | InChI=1S/C26H31ClN4O4S/c1-16-13-18(21(14-22(16)27)26(2,3)4)15-35-24-20-9-11-31(12-10-23(20)29-30-24)25(32)17-5-7-19(8-6-17)36(28,33)34/h5-8,13-14H,9-12,15H2,1-4H3,(H,29,30)(H2,28,33,34) | | Definition date: | 2023-06-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}benzene-1-sulfonamide |
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 | | YBL | | Name: | 3-[(Z)-1-{[(2S)-butan-2-yl]oxy}-2-(2,4-dichlorophenyl)ethenyl]pyridine | | Formula: | C17 H17 Cl2 N O | | SMILES: | Clc1ccc(/C=C(OC(C)CC)c2cccnc2)c(Cl)c1 | | InChi: | InChI=1S/C17H17Cl2NO/c1-3-12(2)21-17(14-5-4-8-20-11-14)9-13-6-7-15(18)10-16(13)19/h4-12H,3H2,1-2H3/t12-/m0/s1 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-[(Z)-1-{[(2S)-butan-2-yl]oxy}-2-(2,4-dichlorophenyl)ethenyl]pyridine |
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 | | YOQ | | Name: | [3-chloro-5-(methanesulfonyl)phenyl]methyl 2-(1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate | | Formula: | C23 H24 Cl N5 O5 S | | SMILES: | CS(=O)(=O)c1cc(cc(Cl)c1)COC(=O)N1CCC2(CC1)CN(C2)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C23H24ClN5O5S/c1-35(32,33)18-9-15(8-17(24)11-18)12-34-22(31)28-6-4-23(5-7-28)13-29(14-23)21(30)16-2-3-19-20(10-16)26-27-25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,26,27) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [3-chloro-5-(methanesulfonyl)phenyl]methyl 2-(1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate |
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 | | YOW | | Name: | 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one | | Formula: | C21 H23 N7 O2 | | SMILES: | O=C(COCCc1cnn[NH]1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 | | InChi: | InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one |
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 | | XYE | | Name: | tert-butyl 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate | | Formula: | C23 H32 Cl N3 O3 | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1OCc1n[NH]c2CCN(Cc21)C(=O)OC(C)(C)C | | InChi: | InChI=1S/C23H32ClN3O3/c1-14-10-20(16(11-17(14)24)22(2,3)4)29-13-19-15-12-27(9-8-18(15)25-26-19)21(28)30-23(5,6)7/h10-11H,8-9,12-13H2,1-7H3,(H,25,26) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | tert-butyl 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate |
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 | | XJK | | Name: | 5-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydro-1H-benzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide | | Formula: | C20 H19 Cl N4 O3 S | | SMILES: | Clc1ccc(cc1)c1sc(nc1C(=O)NC)N1CNc2cc(OC)c(OC)cc21 | | InChi: | InChI=1S/C20H19ClN4O3S/c1-22-19(26)17-18(11-4-6-12(21)7-5-11)29-20(24-17)25-10-23-13-8-15(27-2)16(28-3)9-14(13)25/h4-9,23H,10H2,1-3H3,(H,22,26) | | Definition date: | 2023-06-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydro-1H-benzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide |
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 | | YP0 | | Name: | (4M,8P)-8-(2-fluorophenyl)-4-[(3P)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepin-2-one | | Formula: | C24 H17 F N4 O2 | | SMILES: | Cc1nnc(o1)c1cc(ccc1)C=1CC(=O)Nc2cc(ccc2N=1)c1ccccc1F | | InChi: | InChI=1S/C24H17FN4O2/c1-14-28-29-24(31-14)17-6-4-5-16(11-17)21-13-23(30)27-22-12-15(9-10-20(22)26-21)18-7-2-3-8-19(18)25/h2-12H,13H2,1H3,(H,27,30) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (4M,8P)-8-(2-fluorophenyl)-4-[(3P)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepin-2-one |
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 | | XJQ | | Name: | N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-(4-{[(3S)-oxolan-3-yl]methyl}piperazin-1-yl)quinazolin-3(4H)-yl]acetamide | | Formula: | C26 H29 Cl2 N5 O3 | | SMILES: | Clc1ccc(cc1Cl)CNC(=O)CN1C=Nc2ccc(cc2C1=O)N1CCN(CC2CCOC2)CC1 | | InChi: | InChI=1S/C26H29Cl2N5O3/c27-22-3-1-18(11-23(22)28)13-29-25(34)15-33-17-30-24-4-2-20(12-21(24)26(33)35)32-8-6-31(7-9-32)14-19-5-10-36-16-19/h1-4,11-12,17,19H,5-10,13-16H2,(H,29,34)/t19-/m0/s1 | | Definition date: | 2023-06-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-(4-{[(3S)-oxolan-3-yl]methyl}piperazin-1-yl)quinazolin-3(4H)-yl]acetamide |
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 | | YP5 | | Name: | (2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)[(4s,6S)-6-hydroxy-6-methyl-1-azaspiro[3.3]heptan-1-yl]methanone | | Formula: | C21 H23 Cl N4 O2 | | SMILES: | O=C(c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1)N1CCC21CC(C)(O)C2 | | InChi: | InChI=1S/C21H23ClN4O2/c1-20(28)11-21(12-20)4-5-26(21)18(27)15-9-23-19(24-10-15)25-17-7-13-2-3-16(22)6-14(13)8-17/h2-3,6,9-10,17,28H,4-5,7-8,11-12H2,1H3,(H,23,24,25)/t17-,20-,21+/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)[(4s,6S)-6-hydroxy-6-methyl-1-azaspiro[3.3]heptan-1-yl]methanone |
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 | | XYO | | Name: | ethyl (5P)-5-(3-bromophenyl)-1H-pyrazole-3-carboxylate | | Formula: | C12 H11 Br N2 O2 | | SMILES: | CCOC(=O)c1cc([NH]n1)c1cccc(Br)c1 | | InChi: | InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,15) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | ethyl (5P)-5-(3-bromophenyl)-1H-pyrazole-3-carboxylate |
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 | | XJU | | Name: | 3-(2,4-dichlorophenyl)-N-{(4R)-2-[2-(methylamino)-2-oxoethyl]-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl}propanamide | | Formula: | C22 H23 Cl2 N3 O3 | | SMILES: | Clc1ccc(CCC(=O)NC2Cc3ccccc3CN(CC(=O)NC)C2=O)c(Cl)c1 | | InChi: | InChI=1S/C22H23Cl2N3O3/c1-25-21(29)13-27-12-16-5-3-2-4-15(16)10-19(22(27)30)26-20(28)9-7-14-6-8-17(23)11-18(14)24/h2-6,8,11,19H,7,9-10,12-13H2,1H3,(H,25,29)(H,26,28) | | Definition date: | 2023-06-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-(2,4-dichlorophenyl)-N-{(4R)-2-[2-(methylamino)-2-oxoethyl]-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl}propanamide |
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 | | YP9 | | Name: | [(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone | | Formula: | C25 H23 N5 O3 | | SMILES: | COc1cc(cc2ccccc21)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C25H23N5O3/c1-33-23-10-17(8-15-4-2-3-5-20(15)23)25(32)30-13-18-11-29(12-19(18)14-30)24(31)16-6-7-21-22(9-16)27-28-26-21/h2-10,18-19H,11-14H2,1H3,(H,26,27,28)/t18-,19-/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone |
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 | | YPB | | Name: | (4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione | | Formula: | C27 H27 N3 O6 | | SMILES: | Cc1ccc2c(OCCOc3ccccc3COC(=O)C3=C(C)NC=4N(CC)C(=O)NC(=O)C=4C32)c1 | | InChi: | InChI=1S/C27H27N3O6/c1-4-30-24-23(25(31)29-27(30)33)22-18-10-9-15(2)13-20(18)35-12-11-34-19-8-6-5-7-17(19)14-36-26(32)21(22)16(3)28-24/h5-10,13,22,28H,4,11-12,14H2,1-3H3,(H,29,31,33)/t22-/m1/s1 | | Synonyms: | JJ-II-363A | | Definition date: | 2023-12-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione |
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 | | YPI | | Name: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][1-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]methanone | | Formula: | C27 H23 F3 N6 O3 | | SMILES: | FC(F)(F)COc1nc(cc2ccccc21)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C27H23F3N6O3/c28-27(29,30)13-39-24-16-4-2-1-3-14(16)7-23(31-24)26(38)36-11-19-17-9-35(10-18(17)20(19)12-36)25(37)15-5-6-21-22(8-15)33-34-32-21/h1-8,17-20H,9-13H2,(H,32,33,34) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][1-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]methanone |
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 | | XK5 | | Name: | 6-chloro-9-(2-{[(2S)-oxan-2-yl]oxy}ethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one | | Formula: | C18 H21 Cl N2 O3 | | SMILES: | Clc1cc2c(cc1)n(CCOC1CCCCO1)c1c2CCNC1=O | | InChi: | InChI=1S/C18H21ClN2O3/c19-12-4-5-15-14(11-12)13-6-7-20-18(22)17(13)21(15)8-10-24-16-3-1-2-9-23-16/h4-5,11,16H,1-3,6-10H2,(H,20,22)/t16-/m1/s1 | | Definition date: | 2023-06-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 6-chloro-9-(2-{[(2R)-oxan-2-yl]oxy}ethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one |
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 | | YCQ | | Name: | 1alpha,3beta-dihydroxy-14-methyl-23-oxo-5beta,14beta,17alpha-9,19-cycloergost-24(28)-ene-4alpha-carboxylic acid | | Formula: | C30 H46 O5 | | SMILES: | CC(C)C(=C)C(=O)CC(C)C1CCC2(C)C3CCC4C(C(=O)O)C(O)CC(O)C44CC34CCC12C | | InChi: | InChI=1S/C30H46O5/c1-16(2)18(4)21(31)13-17(3)19-9-10-28(6)23-8-7-20-25(26(34)35)22(32)14-24(33)30(20)15-29(23,30)12-11-27(19,28)5/h16-17,19-20,22-25,32-33H,4,7-15H2,1-3,5-6H3,(H,34,35)/t17?,19-,20?,22?,23+,24?,25?,27-,28+,29+,30-/m1/s1 | | Definition date: | 2023-06-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1alpha,3beta-dihydroxy-14-methyl-23-oxo-5beta,14beta,17alpha-9,19-cycloergost-24(28)-ene-4alpha-carboxylic acid |
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 | | YQ0 | | Name: | 1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-4-fluoropiperidine-4-sulfonamide | | Formula: | C27 H36 F N5 O6 S | | SMILES: | NS(=O)(=O)C1(F)CCN(CC1)C(=O)N1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | | InChi: | InChI=1S/C27H36FN5O6S/c28-27(40(29,36)37)5-7-31(8-6-27)26(35)33-15-21-13-32(14-22(21)16-33)25(34)20-11-23(19-1-2-19)30-24(12-20)39-17-18-3-9-38-10-4-18/h11-12,18-19H,1-10,13-17H2,(H2,29,36,37) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-4-fluoropiperidine-4-sulfonamide |
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 | | YCW | | Name: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(cyclopropylmethoxy)naphthalen-2-yl]methanone | | Formula: | C30 H29 N5 O3 | | SMILES: | O=C(c1cc2ccccc2c(OCC2CC2)c1)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C30H29N5O3/c36-29(19-7-8-26-27(10-19)32-33-31-26)34-12-22-23(13-34)25-15-35(14-24(22)25)30(37)20-9-18-3-1-2-4-21(18)28(11-20)38-16-17-5-6-17/h1-4,7-11,17,22-25H,5-6,12-16H2,(H,31,32,33)/t22-,23+,24+,25- | | Definition date: | 2023-06-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(cyclopropylmethoxy)naphthalen-2-yl]methanone |
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