KRAS inhibitor-26
HIT218887409
sdf文件结构编辑类似物检索
HIT ID: HIT218887409
Cas No: 3030576-80-5
分子式: C36H39F3N6O4
分子量: 676.741
常用名: KRAS inhibitor-26
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 8-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-25,34-difluoro-30-hydroxy-14-oxa-3,7,9,11,19-pentaazahexacyclo[22.7.1.1^{2,6}.1^{11,16}.0^{5,10}.0^{28,32}]tetratriaconta-1(31),2,4,6(34),7,9,24(32),25,27,29-decaen-20-one
IUPAC: 8-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-25,34-difluoro-30-hydroxy-14-oxa-3,7,9,11,19-pentaazahexacyclo[22.7.1.1^{2,6}.1^{11,16}.0^{5,10}.0^{28,32}]tetratriaconta-1(31),2,4,6(34),7,9,24(32),25,27,29-decaen-20-one
SMILES: [H]C12COCCN(C1)c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(ncc13)-c1cc(O)cc3ccc(F)c(CCCC(=O)NCC2)c13
SMILES: [H]C12COCCN(C1)c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(ncc13)-c1cc(O)cc3ccc(F)c(CCCC(=O)NCC2)c13
InChI key: PXXIAPJIMONJNH-KXQJKLPKSA-N
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