HIT ID: HIT212672946
Cas No: 2022986-70-3
分子式: C26H24ClF4N5O3
分子量: 565.95
常用名: KRAS inhibitor-8
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 5.2598567
IUPAC: 1-(4-{6-chloro-2-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl}piperazin-1-yl)prop-2-en-1-one
IUPAC: 1-(4-{6-chloro-2-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl}piperazin-1-yl)prop-2-en-1-one
SMILES: Oc1cccc(F)c1-c1c(Cl)cc2c(nc(OCCN3CC(F)(F)C3)nc2c1F)N1CCN(CC1)C(=O)C=C
SMILES: Oc1cccc(F)c1-c1c(Cl)cc2c(nc(OCCN3CC(F)(F)C3)nc2c1F)N1CCN(CC1)C(=O)C=C
InChI key: ABVZCBJMBAVTME-UHFFFAOYSA-N
