Name: NMS-P515
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212672641
Cas No:1262395-13-0
常用名:NMS-P515
IUPAC:(1S)-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
IUPAC:(1S)-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
InChI key:OYGLTKXMFGWXJT-AWEZNQCLSA-N

分子式:C21H29N3O2
分子量:355.482
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:2.1157575
SMILES:C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O
SMILES:C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O

NMS-P515 is an effective, orally active, and stereospecific PARP-1 inhibitor (Kd: 16 nM and an IC50: 27 nM (in Hela cells)). It has anti-tumor activity.

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