HIT ID: HIT212719798
Cas No: 1254053-84-3
分子式: C62H92N16O10
分子量: 1221.52
常用名: Gilteritinib hemifumarate
氢键受体数 (HBA): 10
氢键供体数 (HBD): 3
LogP: 2.793401
IUPAC: (2E)-but-2-enedioic acid; bis(6-ethyl-3-({3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-[(oxan-4-yl)amino]pyrazine-2-carboxamide)
IUPAC: (2E)-but-2-enedioic acid; bis(6-ethyl-3-({3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-[(oxan-4-yl)amino]pyrazine-2-carboxamide)
SMILES: OC(=O)\C=C\C(O)=O.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
SMILES: OC(=O)\C=C\C(O)=O.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
InChI key: UJOUWHLYTQFUCU-WXXKFALUSA-N
