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Isocitrate Dehydrogenase (IDH)
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IDH1 Inhibitor 1Cas Number: 2234285-81-3 Compound CID: 137333448Formula: C20H18F4N6O2 Molecular Weight: 450.39IUPAC Name: (4R)-4-(fluoromethyl)-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-oneSMILES: CC(C1=CN(C=N1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=CC(=N3)N4C(COC4=O)CFInChIKey: ULTZLMKTFYRMFK-WFASDCNBSA-NInChI: show more
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IDH1 Inhibitor 7-d2Cas Number: 2135309-51-0Formula: C22H22D2F3N7O Molecular Weight: 461.48SMILES: O=C1NC([2H])([2H])[C@H](C(C)C)N1C2=NC(N[C@H](C3=CN(C4=CC=C(C(F)(F)F)C=C4)C=N3)C)=NC=C2
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Mutant IDH1-IN-1Cas Number: 1355326-21-4 Compound CID: 89696514Formula: C30H31FN4O2 Molecular Weight: 498.59IUPAC Name: 2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamideSMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=NC5=CC=CC=C54InChIKey: DXYIOARJXVTYJW-UHFFFAOYSA-NInChI: show more
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(S,R)-GSK321Cas Number: 1816272-18-0Formula: C28H28FN5O3 Molecular Weight: 501.55SMILES: C[C@@H](O)C1=CC=CC(NC(C2=NN(C3=C2CN(C[C@@H]3C)C(C4=CC=CN4)=O)CC5=CC=C(C=C5)F)=O)=C1
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(R,S)-IvosidenibCas Number: 2070009-31-1 Compound CID: 121230976Formula: C28H22ClF3N6O3 Molecular Weight: 582.96SMILES: C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N
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IDH889Cas Number: 1429179-07-6 Compound CID: 71542286Formula: C23H25FN6O2 Molecular Weight: 436.48IUPAC Name: (4S)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-oneSMILES: CC1=C(C=CC(=C1)C2=CN=C(N=C2)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)C)FInChIKey: JDCYIMQAIKEACU-HNAYVOBHSA-NInChI: show more
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(S,S)-GSK321Cas Number: 1816272-20-4Formula: C28H28FN5O3 Molecular Weight: 501.55SMILES: C[C@H](O)C1=CC=CC(NC(C2=NN(C3=C2CN(C[C@@H]3C)C(C4=CC=CN4)=O)CC5=CC=C(C=C5)F)=O)=C1
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(R,R)-GSK321Cas Number: 1816272-19-1Formula: C28H28FN5O3 Molecular Weight: 501.55SMILES: O=C(C1=NN(CC2=CC=C(F)C=C2)C3=C1CN(C(C4=CC=CN4)=O)C[C@H]3C)NC5=CC=CC([C@H](O)C)=C5
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Mutant IDH1-IN-2Cas Number: 1429176-69-1Formula: C24H31F2N5O2 Molecular Weight: 459.53SMILES: O=C1OC[C@H](C(C)C)N1C2=NC(N[C@H](C3=CC=C(CN4CCC(F)(F)CC4)C=C3)C)=NC=C2
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IDH1 Inhibitor 7Cas Number: 2135309-56-5Formula: C22H24F3N7O Molecular Weight: 459.47SMILES: O=C1NC[C@H](C(C)C)N1C2=NC(N[C@H](C3=CN(C4=CC=C(C(F)(F)F)C=C4)C=N3)C)=NC=C2
