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Isocitrate Dehydrogenase (IDH)
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Enasidenib Mesylate, Isocitrate dehydrogenase [NADP], mitochondrial inhibitorCas Number: 1650550-25-6Formula: C20H21F6N7O4S Molecular Weight: 569.48IUPAC Name: methanesulfonic acid;2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-olSMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O.CS(=O)(=O)OInChIKey: ORZHZQZYWXEDDL-UHFFFAOYSA-NInChI: show moreSynonyms: HY-18690A | D11044 | Enasidenib mesylate | ENASIDENIB MESYLATE [WHO-DD] | ORZHZQZYWXEDDL-UHFFFAOYSA-N | Enasidenib me...
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Enasidenib Mesylate, Isocitrate dehydrogenase [NADP], mitochondrial inhibitorCas Number: 1650550-25-6Formula: C20H21F6N7O4S Molecular Weight: 569.48IUPAC Name: methanesulfonic acid;2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-olSMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O.CS(=O)(=O)OInChIKey: ORZHZQZYWXEDDL-UHFFFAOYSA-NInChI: show moreSynonyms: Enasidenib mesylate|1650550-25-6|AG-221 mesylate|Enasidenib mesilate|Enasidenib methanesulfonate|Enasidenib (mesylate...
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IDH-305Cas Number: 1628805-46-8 Compound CID: 90415637Formula: C23H22F4N6O2 Molecular Weight: 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: show moreSynonyms: 2-OXAZOLIDINONE, 4-((1S)-1-FLUOROETHYL)-3-(2-(((1S)-1-(4-METHYL-2'-(TRIFLUOROMETHYL)(3,4'-BIPYRIDIN)-6-YL)ETHYL)AMINO...
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Mutant IDH1 inhibitorCas Number: 1429180-08-4 Compound CID: 71542482Formula: C25H34N6O3 Molecular Weight: 466.6IUPAC Name: (4S)-3-[2-[[(1S)-1-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-oneSMILES: CC(C)C1COC(=O)N1C2=NC(=NC=C2)NC(C)C3=CC=C(C=C3)CN4CCN(CC4)C(=O)CInChIKey: BEWLUEOYYPKPQL-PGRDOPGGSA-NInChI: show more
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Olutasidenib (FT-2102), Isocitrate dehydrogenase [NADP] cytoplasmic inhibitorCas Number: 1887014-12-1Formula: C18H15ClN4O2 Molecular Weight: 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: InChI=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/s1Synonyms: D87221 | 0T4IMT8S5Z | FT-2102FT-2102 | AC-36556 | UNII-0T4IMT8S5Z | 5-[[(1S)-1-(6-Chloro-2-oxo-1,2-dihydroquinolin-3-...
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Olutasidenib (FT-2102), Isocitrate dehydrogenase [NADP] cytoplasmic inhibitorCas Number: 1887014-12-1Formula: C18H15ClN4O2 Molecular Weight: 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: InChI=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/s1Synonyms: Olutasidenib|1887014-12-1|FT-2102|Rezlidhia|0T4IMT8S5Z|Olutasidenib [USAN]|5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-y...
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Vorasidenib (AG-881), IDH1/IDH2 inhibitorCas Number: 1644545-52-7 Compound CID: 117817422Formula: C14H13ClF6N6 Molecular Weight: 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: InChI=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/s1Synonyms: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine | AG 881 [WHO-DD] | ...
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LY3410738, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1;Inhibitor of isocitrate dehydrogenase (NADP(+)) 2Cas Number: 2230263-60-0 Compound CID: 135125140IUPAC Name: 7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-oneSMILES: CCN1c2nc(ncc2COC1=O)N[C@@H](C)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=CInChIKey: AFGYODUJVVOZAX-CYFREDJKSA-NInChI: show moreSynonyms: example 2 [US11001596B2];LY-3410738
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safusidenib, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1Cas Number: 1898206-17-1 Compound CID: 130306983IUPAC Name: (E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acidSMILES: FC(C)(C)c1c(c(no1)c1c(cc(cc1Cl)Cl)Cl)C(=O)n1cc(c2c(cccc12)/C=C/C(=O)O)CInChIKey: BOOMBLZEOHXPPX-BQYQJAHWSA-NInChI: show moreSynonyms: 2-Propenoic acid, 3-[1-[[5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1H-indo...
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Mutant IDH1-IN-4Cas Number: 1416270-18-2 Compound CID: 71119107Formula: C25H34N4O3 Molecular Weight: 438.56IUPAC Name: 8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrileSMILES: CC1(CC2=C(CO1)C(=NC(=C2C#N)N3CCN(C(C3)C4CC4)C(=O)CCOC)C5CC5)CInChIKey: GNDMXEAGAZOBEM-NRFANRHFSA-NInChI: show more
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IDH1 Inhibitor 2Cas Number: 2244895-42-7Formula: C26H22N4O Molecular Weight: 406.48SMILES: N#CC1=C[C@@]2(C3=CC=CC=C3)[C@](CCC4=C2N=C(NC5=CC=CC=C5)N=C4)([H])[C@H](C)C1=O
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