Name: KRAS G12C inhibitor 21
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214432657
Cas No:2737269-61-1
常用名:KRAS G12C inhibitor 21
IUPAC:6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-{[1-(prop-2-enoyl)azetidin-3-yl]methyl}-1-[2-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroquinoxaline-2,3-dione
IUPAC:6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-{[1-(prop-2-enoyl)azetidin-3-yl]methyl}-1-[2-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroquinoxaline-2,3-dione
InChI key:RGGFDCIDHSJZIS-UHFFFAOYSA-N

分子式:C34H30ClN3O4
分子量:580.08
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)c1ccccc1-n1c2cc(c(Cl)cc2n(CC2CN(C2)C(=O)C=C)c(=O)c1=O)-c1cc(O)cc2ccccc12
SMILES:CC(C)c1ccccc1-n1c2cc(c(Cl)cc2n(CC2CN(C2)C(=O)C=C)c(=O)c1=O)-c1cc(O)cc2ccccc12

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