 | | R0P | | Name: | 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one | | Formula: | C21 H23 N5 O3 S | | SMILES: | C(N3C(N(C1CC1)c2c3cncc2)=O)c5cc4cnccc4n5CCCS(C)(=O)=O | | InChi: | InChI=1S/C21H23N5O3S/c1-30(28,29)10-2-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)27)16-3-4-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3 | | Definition date: | 2020-01-21 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one |
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 | | R0S | | Name: | 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile | | Formula: | C27 H24 Cl N5 O3 | | SMILES: | COc5c(ccc(N4C(N(Cc2cc1c(ccc(Cl)c1)n2CCCC#N)c3cnccc34)=O)c5)OC | | InChi: | InChI=1S/C27H24ClN5O3/c1-35-25-8-6-20(15-26(25)36-2)33-23-9-11-30-16-24(23)32(27(33)34)17-21-14-18-13-19(28)5-7-22(18)31(21)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3 | | Definition date: | 2020-01-21 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile |
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 | | UGD | | Name: | N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide | | Formula: | C15 H14 N4 O3 | | SMILES: | n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O | | InChi: | InChI=1S/C15H14N4O3/c20-13(4-10-7-16-9-17-8-10)18-11-2-1-3-12(5-11)22-15-6-14(21)19-15/h1-3,5,7-9,15H,4,6H2,(H,18,20)(H,19,21)/t15-/m1/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide |
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 | | UGG | | Name: | 2-(isoquinolin-4-yl)-N-phenylacetamide | | Formula: | C17 H14 N2 O | | SMILES: | N(c1ccccc1)C(=O)Cc2c3c(cnc2)cccc3 | | InChi: | InChI=1S/C17H14N2O/c20-17(19-15-7-2-1-3-8-15)10-14-12-18-11-13-6-4-5-9-16(13)14/h1-9,11-12H,10H2,(H,19,20) | | Definition date: | 2020-05-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 2-(isoquinolin-4-yl)-N-phenylacetamide |
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 | | UGM | | Name: | 2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide | | Formula: | C13 H10 N4 O | | SMILES: | N#Cc1cncc(c1)CC(=O)Nc2cccnc2 | | InChi: | InChI=1S/C13H10N4O/c14-6-11-4-10(7-16-8-11)5-13(18)17-12-2-1-3-15-9-12/h1-4,7-9H,5H2,(H,17,18) | | Definition date: | 2020-05-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide |
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 | | UGV | | Name: | 2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide | | Formula: | C11 H9 Cl N2 O S | | SMILES: | n2cccc(NC(Cc1ccc(s1)Cl)=O)c2 | | InChi: | InChI=1S/C11H9ClN2OS/c12-10-4-3-9(16-10)6-11(15)14-8-2-1-5-13-7-8/h1-5,7H,6H2,(H,14,15) | | Definition date: | 2020-05-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide |
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 | | UH1 | | Name: | 2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide | | Formula: | C14 H11 N3 O | | SMILES: | N(C(Cc1cc(ccc1)C#N)=O)c2cccnc2 | | InChi: | InChI=1S/C14H11N3O/c15-9-12-4-1-3-11(7-12)8-14(18)17-13-5-2-6-16-10-13/h1-7,10H,8H2,(H,17,18) | | Definition date: | 2020-05-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide |
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 | | UH4 | | Name: | N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea | | Formula: | C11 H11 N3 O S | | SMILES: | N(C(Nc1ccc(s1)C)=O)c2cccnc2 | | InChi: | InChI=1S/C11H11N3OS/c1-8-4-5-10(16-8)14-11(15)13-9-3-2-6-12-7-9/h2-7H,1H3,(H2,13,14,15) | | Definition date: | 2020-05-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea |
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 | | UHA | | Name: | (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C15 H15 Cl N2 O | | SMILES: | n1ccc(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O | | InChi: | InChI=1S/C15H15ClN2O/c1-10-6-7-17-9-14(10)18-15(19)11(2)12-4-3-5-13(16)8-12/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
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 | | UHM | | Name: | 2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide | | Formula: | C13 H11 N3 O2 S | | SMILES: | n2scc(CNC(c1c(OCC#N)cccc1)=O)c2 | | InChi: | InChI=1S/C13H11N3O2S/c14-5-6-18-12-4-2-1-3-11(12)13(17)15-7-10-8-16-19-9-10/h1-4,8-9H,6-7H2,(H,15,17) | | Definition date: | 2020-05-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide |
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 | | ELF | | Name: | (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propanal | | Formula: | C8 H14 N2 O2 | | SMILES: | N[CH](C[CH]1CCCNC1=O)C=O | | InChi: | InChI=1S/C8H14N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h5-7H,1-4,9H2,(H,10,12)/t6-,7-/m0/s1 | | Definition date: | 2020-01-14 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | (2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanal |
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 | | EOC | | Name: | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide | | Formula: | C23 H31 N3 O4 | | SMILES: | CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | | InChi: | InChI=1S/C23H31N3O4/c1-16(2)13-20(26-21(28)11-10-17-7-4-3-5-8-17)23(30)25-19(15-27)14-18-9-6-12-24-22(18)29/h3-5,7-8,10-11,15-16,18-20H,6,9,12-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b11-10+/t18-,19-,20-/m0/s1 | | Definition date: | 2020-01-17 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide |
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 | | DY3 | | Name: | 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol | | Formula: | C15 H21 N3 O S | | SMILES: | CSc1nnc(CCCO)n1c2cc(C)c(C)c(C)c2 | | InChi: | InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3 | | Definition date: | 2019-09-18 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol |
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 | | E2C | | Name: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine | | Formula: | C21 H27 Cl N2 O | | SMILES: | CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13 | | InChi: | InChI=1S/C21H27ClN2O/c1-3-23(4-2)14-8-5-9-15-24-18-10-6-7-11-20(18)25-21-13-12-17(22)16-19(21)24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3 | | Definition date: | 2019-10-02 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine |
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 | | E2F | | Name: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine | | Formula: | C19 H21 Cl N2 O | | SMILES: | Clc1ccc2Oc3ccccc3N(CCC4CCNCC4)c2c1 | | InChi: | InChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2 | | Definition date: | 2019-10-02 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine |
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 | | E2L | | Name: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine | | Formula: | C20 H23 Cl N2 O | | SMILES: | Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1 | | InChi: | InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1 | | Definition date: | 2019-10-02 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine |
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 | | E2O | | Name: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine | | Formula: | C19 H22 Cl N3 O | | SMILES: | Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1 | | InChi: | InChI=1S/C19H22ClN3O/c20-15-5-6-18-17(11-15)23(16-7-9-22-13-19(16)24-18)10-2-4-14-3-1-8-21-12-14/h5-7,9,11,13-14,21H,1-4,8,10,12H2/t14-/m0/s1 | | Definition date: | 2019-10-02 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine |
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 | | E2R | | Name: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine | | Formula: | C19 H21 Cl N2 O | | SMILES: | N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24 | | InChi: | InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15- | | Definition date: | 2019-10-02 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine |
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 | | E2U | | Name: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine | | Formula: | C20 H25 Cl N4 O | | SMILES: | NCCN1CCC(CC1)CCN2c3ccncc3Oc4ccc(Cl)cc24 | | InChi: | InChI=1S/C20H25ClN4O/c21-16-1-2-19-18(13-16)25(17-3-8-23-14-20(17)26-19)11-6-15-4-9-24(10-5-15)12-7-22/h1-3,8,13-15H,4-7,9-12,22H2 | | Definition date: | 2019-10-02 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine |
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 | | D2L | | Name: | [(3R,6R)-6-methyloctan-3-yl] 2-[(2S,4S,6R)-2-[(2S)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate | | Formula: | C26 H51 N O4 S | | SMILES: | CCC[CH](CC)C[CH]1C[CH](CC[S](=O)(=O)O[CH](CC)CC[CH](C)CC)C[CH](C)N1CC=O | | InChi: | InChI=1S/C26H51NO4S/c1-7-11-23(9-3)19-25-20-24(18-22(6)27(25)15-16-28)14-17-32(29,30)31-26(10-4)13-12-21(5)8-2/h16,21-26H,7-15,17-20H2,1-6H3/t21-,22-,23+,24+,25+,26-/m1/s1 | | Definition date: | 2019-06-05 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | [(3~{R},6~{R})-6-methyloctan-3-yl] 2-[(2~{S},4~{S},6~{R})-2-[(2~{S})-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate |
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 | | 017 | | Name: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | | Formula: | C27 H37 N3 O7 S | | SMILES: | O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | | InChi: | InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | | Synonyms: | Darunavir | | Definition date: | 2004-01-27 | | Last modified: | 2020-05-22 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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 | | 032 | | Name: | N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | | Formula: | C23 H18 Cl F2 N3 O3 S | | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4ccc(Cl)cc4)CCC | | InChi: | InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | | Synonyms: | Vemurafenib | | Definition date: | 2010-08-17 | | Last modified: | 2020-05-22 | | Identifier: | N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide |
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 | | NQP | | Name: | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | | Formula: | C31 H42 N6 O4 | | SMILES: | [C@H](=C)CCN5c3ccc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CCOCC4)C(C5=O)C | | InChi: | InChI=1S/C31H42N6O4/c1-5-6-15-36-26-9-10-28(34-29(26)37(21(2)31(36)39)24-13-18-41-19-14-24)33-25-8-7-22(20-27(25)40-4)30(38)32-23-11-16-35(3)17-12-23/h5,7-10,20-21,23-24H,1,6,11-19H2,2-4H3,(H,32,38)(H,33,34)/t21-/m1/s1 | | Definition date: | 2019-05-24 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
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 | | NQV | | Name: | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide | | Formula: | C30 H42 N6 O3 | | SMILES: | c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC(C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O | | InChi: | InChI=1S/C30H42N6O3/c1-19(2)39-26-18-21(29(37)31-22-14-16-34(4)17-15-22)10-11-24(26)32-27-13-12-25-28(33-27)36(23-8-6-7-9-23)20(3)30(38)35(25)5/h10-13,18-20,22-23H,6-9,14-17H2,1-5H3,(H,31,37)(H,32,33)/t20-/m1/s1 | | Definition date: | 2019-05-24 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide |
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 | | NQY | | Name: | 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide | | Formula: | C26 H34 N6 O3 | | SMILES: | c2c1N(C(=O)C5CCCCN5c1nc(c2)Nc4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C | | InChi: | InChI=1S/C26H34N6O3/c1-30-14-11-18(12-15-30)27-25(33)17-7-8-19(22(16-17)35-3)28-23-10-9-20-24(29-23)32-13-5-4-6-21(32)26(34)31(20)2/h7-10,16,18,21H,4-6,11-15H2,1-3H3,(H,27,33)(H,28,29)/t21-/m1/s1 | | Definition date: | 2019-05-24 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide |
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