Name: (8R,9S)-Talazoparib
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212060388
Cas No:1207456-00-5
常用名:(8R,9S)-Talazoparib
别名:他拉唑帕利 (8R,9S), (8R,9S)-BMN-673
IUPAC:(11R,12S)-7-fluoro-11-(4-fluorophenyl)-12-(1-methyl-1H-1,2,4-triazol-5-yl)-2,3,10-triazatricyclo[7.3.1.0^{5,13}]trideca-1,5,7,9(13)-tetraen-4-one
IUPAC:(11R,12S)-7-fluoro-11-(4-fluorophenyl)-12-(1-methyl-1H-1,2,4-triazol-5-yl)-2,3,10-triazatricyclo[7.3.1.0^{5,13}]trideca-1,5,7,9(13)-tetraen-4-one
InChI key:HWGQMRYQVZSGDQ-HOTGVXAUSA-N

分子式:C19H14F2N6O
分子量:380.359
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:2.1114736
SMILES:Cn1ncnc1[C@H]1[C@@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1
SMILES:Cn1ncnc1[C@H]1[C@@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1

(8R,9S)-Talazoparib is Talazoparib enantiomer , less active than Talazoparib on the inhibition of PARP1 (IC50: 144 nM).

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