HIT ID: HIT218848379
Cas No: 2833695-47-7
分子式: C35H34F2N6O3
分子量: 624.693
常用名: KRAS G12D inhibitor 19
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-[(1-{[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl}cyclopropyl)methoxy]pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol
IUPAC: 4-(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-8-fluoro-2-[(1-{[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl}cyclopropyl)methoxy]pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol
SMILES: [H][C@]12CN(CC3(COc4nc(N5CC6CCC(C5)N6)c5cnc(c(F)c5n4)-c4cc(O)cc5ccc(F)c(C#C)c45)CC3)[C@]([H])(CO1)C2
SMILES: [H][C@]12CN(CC3(COc4nc(N5CC6CCC(C5)N6)c5cnc(c(F)c5n4)-c4cc(O)cc5ccc(F)c(C#C)c45)CC3)[C@]([H])(CO1)C2
InChI key: GTODZMKQAVURTR-AELPEBTASA-N
