HIT ID: HIT212712875
Cas No: 869725-27-9
分子式: C30H42Cl2F3N5O2
分子量: 632.59
常用名: INCB-9471 dihydrochloride
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 3.2531223
IUPAC: 5-{4-[(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carbonyl}-4,6-dimethylpyrimidine dihydrochloride
IUPAC: 5-{4-[(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carbonyl}-4,6-dimethylpyrimidine dihydrochloride
SMILES: Cl.Cl.CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F
SMILES: Cl.Cl.CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F
InChI key: IXVIZEPNBCSFFE-XLXXGMJUSA-N
