HIT ID: HIT219251198
Cas No: 1822357-78-7
分子式: C30H34FN7O8
分子量: 639.641
常用名: Avitinib maleate dihydrate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2Z)-but-2-enedioic acid N-{3-[(2-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide dihydrate
IUPAC: (2Z)-but-2-enedioic acid N-{3-[(2-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide dihydrate
SMILES: O.O.OC(=O)\C=C/C(O)=O.CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1F
SMILES: O.O.OC(=O)\C=C/C(O)=O.CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1F
InChI key: QITOONQVTOGMOJ-IUJXYRIYSA-N
