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异柠檬酸脱氢酶 (IDH)
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AGI-5198,突变体异柠檬酸脱氢酶1（mIDH1）的有效抑制剂CAS号: 1355326-35-0分子式: C27H31FN4O2 分子量: 462.56IUPAC Name: N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamideSMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4CInChIKey: FNYGWXSATBUBER-UHFFFAOYSA-NInChI: 1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
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艾伏尼布CAS号: 1448347-49-6分子式: C28H22ClF3N6O3 分子量: 582.96IUPAC Name: (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamideSMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#NInChIKey: WIJZXSAJMHAVGX-DHLKQENFSA-NInChI: See more
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Vorasidenib (AG-881),抑制剂CAS号: 1644545-52-7 Compound CID : 117817422分子式: C14H13ClF6N6 分子量: 414.74IUPAC Name: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamineSMILES: CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)FInChIKey: QCZAWDGAVJMPTA-RNFRBKRXSA-NInChI: 1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
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TC-E 5008,突变异柠檬酸脱氢酶1（mIDH1）抑制剂CAS号: 50405-58-8 Compound CID : 13590964分子式: C13H13NO2 分子量: 215.25IUPAC Name: 6-benzyl-1-hydroxy-4-methylpyridin-2-oneSMILES: CC1=CC(=O)N(C(=C1)CC2=CC=CC=C2)OInChIKey: AVLZAVSZOAQKRC-UHFFFAOYSA-NInChI: 1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
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AG-120（外消旋）CAS号: 1448346-63-1分子式: C28H22ClF3N6O3 分子量: 582.96IUPAC Name: (2S)-N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamideSMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#NInChIKey: WIJZXSAJMHAVGX-XADRRFQNSA-NInChI: See more
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IDH-305CAS号: 1628805-46-8 Compound CID : 90415637分子式: C23H22F4N6O2 分子量: 490.45IUPAC Name: (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-oneSMILES: CC1=CC(=NC=C1C2=CC(=NC=C2)C(F)(F)F)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)FInChIKey: DCGDPJCUIKLTDU-SUNYJGFJSA-NInChI: 1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)/t13-,14-,18+/m0/s1
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BAY 1436032CAS号: 1803274-65-8分子式: C26H30F3N3O3 分子量: 489.53IUPAC Name: 3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acidSMILES: CC1CC(CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)FInChIKey: RNMAUIMMNAHKQR-QFBILLFUSA-NInChI: 1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1
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奥塔西德尼（FT-2102）CAS号: 1887014-12-1分子式: C18H15ClN4O2 分子量: 354.79IUPAC Name: 5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrileSMILES: CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#NInChIKey: NEQYWYXGTJDAKR-JTQLQIEISA-NInChI: 1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
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AGI-5198CAS号: 1355326-35-0分子式: C27H31FN4O2 分子量: 462.56IUPAC Name: N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamideSMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4CInChIKey: FNYGWXSATBUBER-UHFFFAOYSA-NInChI: 1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
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AG-120(外消旋)CAS号: 1448346-63-1分子式: C28H22ClF3N6O3 分子量: 582.96IUPAC Name: (2S)-N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamideSMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#NInChIKey: WIJZXSAJMHAVGX-XADRRFQNSA-NInChI: See more
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奥塔西德尼(FT-2102)CAS号: 1887014-12-1分子式: C18H15ClN4O2 分子量: 354.79IUPAC Name: 5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrileSMILES: CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#NInChIKey: NEQYWYXGTJDAKR-JTQLQIEISA-NInChI: 1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
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Vorasidenib (AG-881)CAS号: 1644545-52-7 Compound CID : 117817422分子式: C14H13ClF6N6 分子量: 414.74IUPAC Name: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamineSMILES: CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)FInChIKey: QCZAWDGAVJMPTA-RNFRBKRXSA-NInChI: 1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
