HIT ID: HIT212672945
Cas No: 2022986-68-9
分子式: C26H27ClF2N6O2
分子量: 528.99
常用名: KRAS inhibitor-7
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 4.2733173
IUPAC: 1-(4-{6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl}piperazin-1-yl)prop-2-en-1-one
IUPAC: 1-(4-{6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl}piperazin-1-yl)prop-2-en-1-one
SMILES: CN(C)C1CN(C1)c1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(O)cccc1F
SMILES: CN(C)C1CN(C1)c1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(O)cccc1F
InChI key: LLBYZJQEXCUAIN-UHFFFAOYSA-N
