Name: KRAS G12D inhibitor 7
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323657
Cas No:2648552-34-3
常用名:KRAS G12D inhibitor 7
IUPAC:2-[(2S)-1-[(2R)-aziridine-2-carbonyl]-4-[7-(3-hydroxynaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile
IUPAC:2-[(2S)-1-[(2R)-aziridine-2-carbonyl]-4-[7-(3-hydroxynaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile
InChI key:VLIVLXJUKMHJOI-VMODYCNZSA-N

分子式:C32H38N8O3
分子量:582.709
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)[C@H]1CN1)c1cc(O)cc2ccccc12
SMILES:CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)[C@H]1CN1)c1cc(O)cc2ccccc12

KRAS G12D inhibitor 7, is a highly potent inhibitor specifically targeting KRAS G12D.

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