 | | S2Q | | Name: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide | | Formula: | C18 H20 N4 O4 S | | SMILES: | CC(C)c1noc2ncc(cc12)C(=O)N[CH](C)c3cccc(c3)[S](N)(=O)=O | | InChi: | InChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)/t11-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide |
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 | | S2W | | Name: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine | | Formula: | C18 H17 F3 N4 | | SMILES: | C[CH](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F | | InChi: | InChI=1S/C18H17F3N4/c1-10(12-7-13(18(19,20)21)9-14(22)8-12)23-17-15-5-3-4-6-16(15)24-11(2)25-17/h3-10H,22H2,1-2H3,(H,23,24,25)/t10-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine |
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 | | S2Z | | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine | | Formula: | C19 H21 N3 O2 | | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3ccccc3)c2cc1OC | | InChi: | InChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine |
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 | | S3Q | | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine | | Formula: | C20 H20 F3 N3 O2 | | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)C(F)(F)F)c2cc1OC | | InChi: | InChI=1S/C20H20F3N3O2/c1-11(13-6-5-7-14(8-13)20(21,22)23)24-19-15-9-17(27-3)18(28-4)10-16(15)25-12(2)26-19/h5-11H,1-4H3,(H,24,25,26)/t11-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine |
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 | | S3T | | Name: | ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | | Formula: | C19 H22 N4 O2 | | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(N)c3)c2cc1OC | | InChi: | InChI=1S/C19H22N4O2/c1-11(13-6-5-7-14(20)8-13)21-19-15-9-17(24-3)18(25-4)10-16(15)22-12(2)23-19/h5-11H,20H2,1-4H3,(H,21,22,23)/t11-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine |
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 | | S3Z | | Name: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | | Formula: | C20 H21 F3 N4 O2 | | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1OC | | InChi: | InChI=1S/C20H21F3N4O2/c1-10(12-5-13(20(21,22)23)7-14(24)6-12)25-19-15-8-17(28-3)18(29-4)9-16(15)26-11(2)27-19/h5-10H,24H2,1-4H3,(H,25,26,27)/t10-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine |
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 | | P8W | | Name: | 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one | | Formula: | C19 H19 N3 O | | SMILES: | CN1N=CC(=C(C)C1=O)NCc2ccccc2c3ccccc3 | | InChi: | InChI=1S/C19H19N3O/c1-14-18(13-21-22(2)19(14)23)20-12-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3 | | Synonyms: | Biphenyl-methylamino-dimethylpyridazinone | | Definition date: | 2020-04-18 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one |
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 | | P8Z | | Name: | 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one | | Formula: | C18 H25 N5 O | | SMILES: | CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3 | | InChi: | InChI=1S/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3 | | Synonyms: | dimethyl-methylpiperazinyl-benzyl-aminopyridazinone | | Definition date: | 2020-04-18 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one |
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 | | TG7 | | Name: | 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid | | Formula: | C21 H15 N3 O4 | | SMILES: | c1(nc3ccccn3c1Nc2cc(C(O)=O)c(C(O)=O)cc2)c4ccccc4 | | InChi: | InChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28) | | Definition date: | 2020-03-20 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid |
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 | | TGM | | Name: | 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid | | Formula: | C21 H15 N3 O5 | | SMILES: | c1(nc3ccccn3c1Nc2ccc(c(c2)C(O)=O)C(O)=O)c4c(cccc4)O | | InChi: | InChI=1S/C21H15N3O5/c25-16-6-2-1-5-14(16)18-19(24-10-4-3-7-17(24)23-18)22-12-8-9-13(20(26)27)15(11-12)21(28)29/h1-11,22,25H,(H,26,27)(H,28,29) | | Definition date: | 2020-03-20 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid |
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 | | TGV | | Name: | 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid | | Formula: | C20 H14 N4 O4 | | SMILES: | c2(c(n1ccncc1n2)Nc3cc(C(O)=O)c(C(O)=O)cc3)c4ccccc4 | | InChi: | InChI=1S/C20H14N4O4/c25-19(26)14-7-6-13(10-15(14)20(27)28)22-18-17(12-4-2-1-3-5-12)23-16-11-21-8-9-24(16)18/h1-11,22H,(H,25,26)(H,27,28) | | Definition date: | 2020-03-20 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid |
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 | | SYW | | Name: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one | | Formula: | C22 H22 N4 O5 S | | SMILES: | C[CH]1CN(CCN1[S](=O)(=O)c2ccc3NC(=O)Oc3c2)C(=O)c4ccc5n(C)ccc5c4 | | InChi: | InChI=1S/C22H22N4O5S/c1-14-13-25(21(27)16-3-6-19-15(11-16)7-8-24(19)2)9-10-26(14)32(29,30)17-4-5-18-20(12-17)31-22(28)23-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,28)/t14-/m1/s1 | | Synonyms: | 6-[(2~{R})-2-methyl-4-(1-methylindol-5-yl)carbonyl-piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one | | Definition date: | 2020-12-08 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 6-[(2~{R})-2-methyl-4-(1-methylindol-5-yl)carbonyl-piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one |
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 | | TYG | | Name: | 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one | | Formula: | C15 H13 N3 O S | | SMILES: | c1cc3c(c(C)c1)N=C(CSc2ccncc2)NC3=O | | InChi: | InChI=1S/C15H13N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,18,19) | | Definition date: | 2020-04-02 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
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 | | TZ7 | | Name: | 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one | | Formula: | C16 H20 N2 O2 S | | SMILES: | c3cc2C(=O)NC(CSC1CCC(CC1)O)=Nc2c(C)c3 | | InChi: | InChI=1S/C16H20N2O2S/c1-10-3-2-4-13-15(10)17-14(18-16(13)20)9-21-12-7-5-11(19)6-8-12/h2-4,11-12,19H,5-9H2,1H3,(H,17,18,20)/t11-,12- | | Definition date: | 2020-04-02 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one |
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 | | U9S | | Name: | (2R,3S)-oxirane-2,3-dicarboxylic acid | | Formula: | C4 H4 O5 | | SMILES: | C(C1C(O1)C(O)=O)(=O)O | | InChi: | InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+ | | Synonyms: | cis-2,3-epoxysuccinic acid | | Definition date: | 2020-05-05 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | (2R,3S)-oxirane-2,3-dicarboxylic acid |
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 | | UG1 | | Name: | 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide | | Formula: | C9 H9 N5 O | | SMILES: | C(c1ncn(c1N)c2ccncc2)(N)=O | | InChi: | InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-1-3-12-4-2-6/h1-5H,10H2,(H2,11,15) | | Definition date: | 2020-05-15 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide |
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 | | UG4 | | Name: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide | | Formula: | C9 H9 N5 O | | SMILES: | c1(cccnc1)n2c(c(nc2)C(N)=O)N | | InChi: | InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-2-1-3-12-4-6/h1-5H,10H2,(H2,11,15) | | Definition date: | 2020-05-16 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide |
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 | | UL8 | | Name: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide | | Formula: | C20 H22 N4 O2 | | SMILES: | CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1)c3cn(C)nn3 | | InChi: | InChI=1S/C20H22N4O2/c1-4-21-20(25)16-10-11-19(17(12-16)18-13-24(3)23-22-18)26-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,21,25)/t14-/m0/s1 | | Definition date: | 2021-03-01 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide |
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 | | ULB | | Name: | 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole | | Formula: | C16 H15 N3 O | | SMILES: | Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 | | InChi: | InChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19) | | Definition date: | 2021-03-01 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole |
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 | | UM5 | | Name: | N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide | | Formula: | C18 H19 N5 O2 | | SMILES: | CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3 | | InChi: | InChI=1S/C18H19N5O2/c1-3-19-18(24)13-7-8-17(25-12-14-6-4-5-9-20-14)15(10-13)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,19,24) | | Synonyms: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide | | Definition date: | 2021-03-02 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide |
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 | | UM8 | | Name: | 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide | | Formula: | C19 H19 N5 O | | SMILES: | Cn1cc(nn1)c2cc(cc(Cc3ccccc3)n2)C(=O)NC4CC4 | | InChi: | InChI=1S/C19H19N5O/c1-24-12-18(22-23-24)17-11-14(19(25)21-15-7-8-15)10-16(20-17)9-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3,(H,21,25) | | Synonyms: | ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide | | Definition date: | 2021-03-02 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide |
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 | | UMB | | Name: | 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide | | Formula: | C19 H21 N3 O3 | | SMILES: | CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[CH]3C[CH](O)C3 | | InChi: | InChI=1S/C19H21N3O3/c1-20-19(25)17-9-13(18(24)22-15-10-16(23)11-15)8-14(21-17)7-12-5-3-2-4-6-12/h2-6,8-9,15-16,23H,7,10-11H2,1H3,(H,20,25)(H,22,24)/t15-,16- | | Synonyms: | ~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide | | Definition date: | 2021-03-02 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | ~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide |
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 | | VB7 | | Name: | {(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate | | Formula: | C24 H26 N4 O6 S2 | | SMILES: | c4ncc(C(c3cc(C2c1ccccc1CCO2)cs3)=O)c(n4)NC5CC(C(C5)O)COS(=O)(N)=O | | InChi: | InChI=1S/C24H26N4O6S2/c25-36(31,32)34-11-15-7-17(9-20(15)29)28-24-19(10-26-13-27-24)22(30)21-8-16(12-35-21)23-18-4-2-1-3-14(18)5-6-33-23/h1-4,8,10,12-13,15,17,20,23,29H,5-7,9,11H2,(H2,25,31,32)(H,26,27,28)/t15-,17-,20+,23+/m1/s1 | | Definition date: | 2020-07-22 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | {(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate |
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 | | VBA | | Name: | [(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate | | Formula: | C21 H24 N6 O6 S | | SMILES: | C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4ccn(Cc3ccccc3)n4)=O)O)O | | InChi: | InChI=1S/C21H24N6O6S/c22-34(31,32)33-11-14-8-17(20(30)18(14)28)25-21-15(9-23-12-24-21)19(29)16-6-7-27(26-16)10-13-4-2-1-3-5-13/h1-7,9,12,14,17-18,20,28,30H,8,10-11H2,(H2,22,31,32)(H,23,24,25)/t14-,17-,18-,20+/m1/s1 | | Definition date: | 2020-07-22 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | [(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate |
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 | | QH1 | | Name: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide | | Formula: | C28 H31 F2 N7 O3 S | | SMILES: | O=C(C)N1CCC(CC1)N(C)c1ccc2n(cc(c3cncnc3)c2n1)c1c(F)ccc(NS(=O)(=O)CCC)c1F | | InChi: | InChI=1S/C28H31F2N7O3S/c1-4-13-41(39,40)34-23-6-5-22(29)28(26(23)30)37-16-21(19-14-31-17-32-15-19)27-24(37)7-8-25(33-27)35(3)20-9-11-36(12-10-20)18(2)38/h5-8,14-17,20,34H,4,9-13H2,1-3H3 | | Definition date: | 2019-10-31 | | Last modified: | 2021-03-15 | | Release date: | 2020-06-03 | | Identifier: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide |
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