Name: PARP-1/2/7-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849866
Cas No:3034665-49-8
常用名:PARP-1/2/7-IN-1
IUPAC:(7R)-4-(trifluoromethyl)-7-[(2R)-2-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl}morpholin-4-yl]-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
IUPAC:(7R)-4-(trifluoromethyl)-7-[(2R)-2-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl}morpholin-4-yl]-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
InChI key:UOPVNFXBOWMRNG-HUUCEWRRSA-N

分子式:C22H23F6N7O3
分子量:547.462
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:FC(F)(F)c1cnc(nc1)N1CCN(CC1)C(=O)[C@H]1CN(CCO1)[C@@H]1CCc2c1n[nH]c(=O)c2C(F)(F)F
SMILES:FC(F)(F)c1cnc(nc1)N1CCN(CC1)C(=O)[C@H]1CN(CCO1)[C@@H]1CCc2c1n[nH]c(=O)c2C(F)(F)F

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