HIT ID: HIT214434312
Cas No: 2454488-02-7
分子式: C33H34FN7O2
分子量: 579.68
常用名: KRAS G12C inhibitor 42
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(2S)-4-[8-fluoro-7-(8-methylnaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-(prop-2-enoyl)piperazin-2-yl]acetonitrile
IUPAC: 2-[(2S)-4-[8-fluoro-7-(8-methylnaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-(prop-2-enoyl)piperazin-2-yl]acetonitrile
SMILES: CN1CCC[C@H]1COc1nc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2cnc(c(F)c2n1)-c1cccc2cccc(C)c12
SMILES: CN1CCC[C@H]1COc1nc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2cnc(c(F)c2n1)-c1cccc2cccc(C)c12
InChI key: JCIQWPCUVDTKAS-ZEQRLZLVSA-N
