Name: KRAS G12D inhibitor 26
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251758
Cas No:2972625-49-1
常用名:KRAS G12D inhibitor 26
别名:KRAS G12D 抑制剂 26
IUPAC:5-[(1S)-2'-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-6'-methyl-3,4,6',8'-tetrahydro-2H,5'H-spiro[naphthalene-1,7'-pyrido[4,3-d]pyrimidin]-4'-yl]-3-chloro-N,N-dimethyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
IUPAC:5-[(1S)-2'-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-6'-methyl-3,4,6',8'-tetrahydro-2H,5'H-spiro[naphthalene-1,7'-pyrido[4,3-d]pyrimidin]-4'-yl]-3-chloro-N,N-dimethyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
InChI key:VHGONFNSHQOROQ-WOGOVJIYSA-N

分子式:C35H44ClFN8O2
分子量:663.24
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(C)C(=O)c1nn2CCCN(Cc2c1Cl)c1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2C[C@]3(CCCc4ccccc34)N(C)Cc12
SMILES:CN(C)C(=O)c1nn2CCCN(Cc2c1Cl)c1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2C[C@]3(CCCc4ccccc34)N(C)Cc12

KRAS G12D inhibitor 26 (Compound 64B) is an inhibitor of KRAS G12D with an IC50 ≤ 100 nM.

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