HIT ID: HIT217583303
Cas No: 2621927-57-7
分子式: C33H33FN6O2
分子量: 564.665
常用名: KRAS G12D mutation regulator 4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-8-fluoro-2-[(hexahydro-1H-pyrrolizin-7a-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl)-5-ethynylnaphthalen-2-ol
IUPAC: 4-(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-8-fluoro-2-[(hexahydro-1H-pyrrolizin-7a-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl)-5-ethynylnaphthalen-2-ol
SMILES: Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C
SMILES: Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C
InChI key: JFYPNKVDMZEUOJ-UHFFFAOYSA-N
