HIT ID: HIT214433019
Cas No: 918639-08-4
分子式: C26H31Cl2N5O4
分子量: 548.47
常用名: Bosutinib hydrate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile hydrate
IUPAC: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile hydrate
SMILES: O.COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
SMILES: O.COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
InChI key: BXPOSPOKHGNMEP-UHFFFAOYSA-N
