HIT ID: HIT214320860
Cas No: 944258-89-3
分子式: C25H26ClFN4O4
分子量: 500.96
常用名: Simotinib
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-(3-chloro-4-fluorophenyl)-6-(2-{5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl}ethoxy)-7-methoxyquinazolin-4-amine
IUPAC: N-(3-chloro-4-fluorophenyl)-6-(2-{5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl}ethoxy)-7-methoxyquinazolin-4-amine
SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2
SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2
InChI key: OXWUWXCJDBRCCG-UHFFFAOYSA-N
