KRAS G12D modulator-1
HIT218851170
sdf文件结构编辑类似物检索
HIT ID: HIT218851170
Cas No: 2883034-05-5
分子式: C30H36FN5O4
分子量: 549.647
常用名: KRAS G12D modulator-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3R,5R)-1-(2-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-7-(3-hydroxynaphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-3,5-diol
IUPAC: (3R,5R)-1-(2-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-7-(3-hydroxynaphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-3,5-diol
SMILES: O[C@@H]1C[C@@H](O)CN(C1)c1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2CN(CCc12)c1cc(O)cc2ccccc12
SMILES: O[C@@H]1C[C@@H](O)CN(C1)c1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2CN(CCc12)c1cc(O)cc2ccccc12
InChI key: SOXZOPVYHSBBKU-SIVBMPLWSA-N
共显示1个结果
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