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

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类似物检索

HIT ID:HIT212666412
Cas No:2115698-83-2
常用名:PARP-2-IN-1
IUPAC:(3S)-N-{5-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)methyl]-2-fluoropyridin-3-yl}-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
IUPAC:(3S)-N-{5-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)methyl]-2-fluoropyridin-3-yl}-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
InChI key:JZKVDRXHUJSBJE-ZDUSSCGKSA-N

分子式:C21H19F4N5O3
分子量:465.409
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:2.0452182
SMILES:Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CC(F)(F)F)C1
SMILES:Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CC(F)(F)F)C1

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