 | | 8R4 | | Name: | 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid | | Formula: | C25 H21 N O3 | | SMILES: | c1(c(C(O)=O)ccc(c1)c2coc3ncc(cc23)c4ccccc4)C5CCCC5 | | InChi: | InChI=1S/C25H21NO3/c27-25(28)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-29-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,27,28) | | Definition date: | 2017-03-03 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid |
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 | | 6C1 | | Name: | {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid | | Formula: | C13 H12 B Cl O3 | | SMILES: | c1(c(cccc1)OCc2cccc(Cl)c2)B(O)O | | InChi: | InChI=1S/C13H12BClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2 | | Definition date: | 2016-03-08 | | Last modified: | 2017-03-10 | | Release date: | 2017-03-15 | | Identifier: | {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid |
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 | | 7NG | | Name: | 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | | Formula: | C28 H29 F N4 O3 | | SMILES: | c24oc(c1ccc(cc1)F)c(C(=O)NC)c2cc(c3cccc(c3)C(=O)NC(C)(C)C)c(n4)NCC | | InChi: | InChI=1S/C28H29FN4O3/c1-6-31-24-20(17-8-7-9-18(14-17)25(34)33-28(2,3)4)15-21-22(26(35)30-5)23(36-27(21)32-24)16-10-12-19(29)13-11-16/h7-15H,6H2,1-5H3,(H,30,35)(H,31,32)(H,33,34) | | Definition date: | 2016-11-21 | | Last modified: | 2017-03-10 | | Release date: | 2017-03-15 | | Identifier: | 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide |
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 | | 8TJ | | Name: | N-methylthieno[2,3-b]pyridine-2-carboxamide | | Formula: | C9 H8 N2 O S | | SMILES: | N(C(=O)c2cc1c(nccc1)s2)C | | InChi: | InChI=1S/C9H8N2OS/c1-10-8(12)7-5-6-3-2-4-11-9(6)13-7/h2-5H,1H3,(H,10,12) | | Definition date: | 2017-03-03 | | Last modified: | 2017-03-10 | | Release date: | 2017-03-15 | | Identifier: | N-methylthieno[2,3-b]pyridine-2-carboxamide |
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 | | 7BZ | | Name: | N,N-dimethylboranamine | | Formula: | C2 H8 B N | | SMILES: | BN(C)C | | InChi: | InChI=1S/C2H8BN/c1-4(2)3/h3H2,1-2H3 | | Definition date: | 2016-09-30 | | Last modified: | 2017-03-03 | | Release date: | 2017-03-08 | | Identifier: | N,N-dimethylboranamine |
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 | | 6NS | | Name: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid | | Formula: | C18 H19 F2 N5 O2 | | SMILES: | CC(C)(C)[CH](CC(O)=O)Nc1nc(ncc1F)c2c[nH]c3ncc(F)cc23 | | InChi: | InChI=1S/C18H19F2N5O2/c1-18(2,3)13(5-14(26)27)24-17-12(20)8-23-16(25-17)11-7-22-15-10(11)4-9(19)6-21-15/h4,6-8,13H,5H2,1-3H3,(H,21,22)(H,26,27)(H,23,24,25)/t13-/m1/s1 | | Definition date: | 2016-05-11 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid |
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 | | 6W0 | | Name: | ~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide | | Formula: | C16 H16 N2 O2 S | | SMILES: | COCc1cccc(NC(=O)c2cc3sccc3n2C)c1 | | InChi: | InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19) | | Definition date: | 2016-07-08 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | ~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide |
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 | | 6W1 | | Name: | 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | | Formula: | C26 H27 N3 O3 S | | SMILES: | Cn1c(cc2sccc12)C(=O)Nc3ccccc3COc4ccc(OC[CH]5CCNC5)cc4 | | InChi: | InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1 | | Definition date: | 2016-07-08 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide |
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 | | 6W3 | | Name: | 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | | Formula: | C27 H29 N3 O3 S | | SMILES: | CN1CCC(CC1)Oc2ccc(OCc3ccccc3NC(=O)c4cc5sccc5n4C)cc2 | | InChi: | InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31) | | Definition date: | 2016-07-08 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide |
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 | | 6X0 | | Name: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | | Formula: | C29 H33 N3 O4 S | | SMILES: | CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[CH]5CCNC5)cc4 | | InChi: | InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1 | | Definition date: | 2016-07-12 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide |
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 | | 6X3 | | Name: | 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | | Formula: | C27 H29 N3 O3 S | | SMILES: | CN1CCC(CC1)Oc2ccc(OCc3ccc(NC(=O)c4cc5sccc5n4C)cc3)cc2 | | InChi: | InChI=1S/C27H29N3O3S/c1-29-14-11-23(12-15-29)33-22-9-7-21(8-10-22)32-18-19-3-5-20(6-4-19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,23H,11-12,14-15,18H2,1-2H3,(H,28,31) | | Definition date: | 2016-07-12 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 4-methyl-~{N}-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide |
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 | | 6X5 | | Name: | ~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide | | Formula: | C29 H33 N3 O4 S | | SMILES: | CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc4ccc(OC[CH]5CCNC5)cc4 | | InChi: | InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1 | | Definition date: | 2016-07-12 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | ~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide |
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 | | 79C | | Name: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | | Formula: | C27 H35 F2 N7 O3 | | SMILES: | c2c(C(=O)NC1CCN(CC1)C)ccc(c2OC)Nc3ncc4c(n3)N(CC(C(N4C)=O)(F)F)C5CCCC5 | | InChi: | InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33) | | Definition date: | 2016-09-15 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
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 | | 82V | | Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one | | Formula: | C19 H17 N O5 S | | SMILES: | C1COCCN1C2=CC(c3c(O2)c(cs3)c5ccc4OCCOc4c5)=O | | InChi: | InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2 | | Definition date: | 2016-12-20 | | Last modified: | 2017-02-03 | | Release date: | 2017-02-08 | | Identifier: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one |
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 | | 82Y | | Name: | N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide | | Formula: | C18 H16 N2 O5 S | | SMILES: | c1cc(ccc1C(NO)=O)c2c3c(sc2)C(C=C(O3)N4CCOCC4)=O | | InChi: | InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22) | | Definition date: | 2016-12-20 | | Last modified: | 2017-02-03 | | Release date: | 2017-02-08 | | Identifier: | N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide |
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 | | 837 | | Name: | ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate | | Formula: | C20 H19 N O5 S | | SMILES: | c1cc(C(OCC)=O)ccc1c2csc4c2OC(N3CCOCC3)=CC4=O | | InChi: | InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3 | | Definition date: | 2016-12-20 | | Last modified: | 2017-02-03 | | Release date: | 2017-02-08 | | Identifier: | ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate |
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 | | N56 | | Name: | (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine | | Formula: | C18 H18 Cl3 N5 | | SMILES: | Clc1cc(Cl)cc(c1)CNC2CCCN(C2)c3nc4c(n3)nc(cc4)Cl | | InChi: | InChI=1S/C18H18Cl3N5/c19-12-6-11(7-13(20)8-12)9-22-14-2-1-5-26(10-14)18-23-15-3-4-16(21)24-17(15)25-18/h3-4,6-8,14,22H,1-2,5,9-10H2,(H,23,24,25)/t14-/m0/s1 | | Definition date: | 2016-04-04 | | Last modified: | 2017-01-20 | | Release date: | 2017-01-25 | | Identifier: | (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine |
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 | | N93 | | Name: | 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine | | Formula: | C16 H16 Cl3 N5 | | SMILES: | Clc1ccc2c(n1)nc(n2)N(C)CCNCc3cc(cc(c3)Cl)Cl | | InChi: | InChI=1S/C16H16Cl3N5/c1-24(16-21-13-2-3-14(19)22-15(13)23-16)5-4-20-9-10-6-11(17)8-12(18)7-10/h2-3,6-8,20H,4-5,9H2,1H3,(H,21,22,23) | | Definition date: | 2016-04-04 | | Last modified: | 2017-01-20 | | Release date: | 2017-01-25 | | Identifier: | N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(3,5-dichlorophenyl)methyl]-N~1~-methylethane-1,2-diamine |
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 | | 7C6 | | Name: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one | | Formula: | C19 H19 N3 O5 S | | SMILES: | CC3C2C(N(C)c1ccncc1C2CN3S(c4ccc5c(c4)OCO5)(=O)=O)=O | | InChi: | InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | | Definition date: | 2016-10-03 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one |
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 | | 7EH | | Name: | 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine | | Formula: | C13 H12 N4 | | SMILES: | Nc1nc2c(n1C)ncc(c2)c3ccccc3 | | InChi: | InChI=1S/C13H12N4/c1-17-12-11(16-13(17)14)7-10(8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16) | | Definition date: | 2016-10-14 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine |
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 | | J4W | | Name: | tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate | | Formula: | C12 H16 B N O4 | | SMILES: | O=C(Nc1cc2c(cc1)COB2O)OC(C)(C)C | | InChi: | InChI=1S/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15) | | Definition date: | 2016-09-28 | | Last modified: | 2017-01-06 | | Release date: | 2017-01-11 | | Identifier: | tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate |
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 | | JW1 | | Name: | {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid | | Formula: | C11 H16 B N O4 | | SMILES: | c1ccc(B(O)O)cc1NC(=O)OC(C)(C)C | | InChi: | InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14) | | Definition date: | 2016-09-28 | | Last modified: | 2017-01-06 | | Release date: | 2017-01-11 | | Identifier: | {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid |
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 | | JW3 | | Name: | (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid | | Formula: | C12 H12 B N O4 | | SMILES: | O=C(c1cc(B(O)O)ccc1)NCc2occc2 | | InChi: | InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15) | | Definition date: | 2016-09-28 | | Last modified: | 2017-01-06 | | Release date: | 2017-01-11 | | Identifier: | (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid |
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 | | JW8 | | Name: | {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid | | Formula: | C9 H12 B N O4 S | | SMILES: | c1(ccc(B(O)O)cc1)S(=O)(N2CCC2)=O | | InChi: | InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2 | | Definition date: | 2016-09-28 | | Last modified: | 2017-01-06 | | Release date: | 2017-01-11 | | Identifier: | {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid |
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 | | 7K1 | | Name: | 1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one | | Formula: | C34 H31 N5 O2 | | SMILES: | Cc1ccc(c2[nH]c3ncccc3c2CCC(=O)N4CCOC[CH]4c5[nH]c6ccccc6n5)c(c1)c7ccccc7 | | InChi: | InChI=1S/C34H31N5O2/c1-22-13-14-25(27(20-22)23-8-3-2-4-9-23)32-24(26-10-7-17-35-33(26)38-32)15-16-31(40)39-18-19-41-21-30(39)34-36-28-11-5-6-12-29(28)37-34/h2-14,17,20,30H,15-16,18-19,21H2,1H3,(H,35,38)(H,36,37)/t30-/m0/s1 | | Definition date: | 2016-11-03 | | Last modified: | 2017-01-06 | | Release date: | 2017-01-11 | | Identifier: | 1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one |
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