Name: PARP7-IN-18
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848659
Cas No:2819999-00-1
常用名:PARP7-IN-18
IUPAC:5-[(2S)-2-({3-[(11S)-5-chloro-8-oxa-1,3,13-triazatricyclo[9.4.0.0^{2,7}]pentadeca-2(7),3,5-trien-13-yl]-3-oxopropoxy}methyl)azetidin-1-yl]-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
IUPAC:5-[(2S)-2-({3-[(11S)-5-chloro-8-oxa-1,3,13-triazatricyclo[9.4.0.0^{2,7}]pentadeca-2(7),3,5-trien-13-yl]-3-oxopropoxy}methyl)azetidin-1-yl]-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
InChI key:YSVWRWHSYZIFDS-HOTGVXAUSA-N

分子式:C23H26ClF3N6O4
分子量:542.94
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CN(CCN1c1ncc(Cl)cc1OCC2)C(=O)CCOC[C@@H]1CCN1c1cn[nH]c(=O)c1C(F)(F)F
SMILES:[H][C@]12CN(CCN1c1ncc(Cl)cc1OCC2)C(=O)CCOC[C@@H]1CCN1c1cn[nH]c(=O)c1C(F)(F)F

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