HIT ID: HIT212000112
Cas No: 379231-04-6
分子式: C27H32ClN5O5
分子量: 542.03
常用名: Saracatinib
氢键受体数 (HBA): 10
氢键供体数 (HBD): 1
LogP: 3.1983316
IUPAC: N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
IUPAC: N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
SMILES: CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
SMILES: CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
InChI key: OUKYUETWWIPKQR-UHFFFAOYSA-N
