Name: PARP7-IN-15
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583401
Cas No:2819998-97-3
常用名:PARP7-IN-15
IUPAC:5-[(2S)-2-({3-oxo-3-[(10S)-5-(trifluoromethyl)-8-oxa-1,3,12-triazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),3,5-trien-12-yl]propoxy}methyl)azetidin-1-yl]-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
IUPAC:5-[(2S)-2-({3-oxo-3-[(10S)-5-(trifluoromethyl)-8-oxa-1,3,12-triazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),3,5-trien-12-yl]propoxy}methyl)azetidin-1-yl]-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
InChI key:BANSZVBMEHYKAV-GJZGRUSLSA-N

分子式:C23H24F6N6O4
分子量:562.473
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12COc3cc(cnc3N1CCN(C2)C(=O)CCOC[C@@H]1CCN1c1cn[nH]c(=O)c1C(F)(F)F)C(F)(F)F
SMILES:[H][C@]12COc3cc(cnc3N1CCN(C2)C(=O)CCOC[C@@H]1CCN1c1cn[nH]c(=O)c1C(F)(F)F)C(F)(F)F

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