Name: PARP7-IN-12
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218964053
Cas No:2819700-92-8
常用名:PARP7-IN-12
IUPAC:5-{[(2S)-1-{3-[(11R)-5-chloro-6-methyl-8-oxa-1,3,13-triazatricyclo[9.4.0.0^{2,7}]pentadeca-2,4,6-trien-13-yl]-3-oxopropoxy}propan-2-yl]oxy}-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
IUPAC:5-{[(2S)-1-{3-[(11R)-5-chloro-6-methyl-8-oxa-1,3,13-triazatricyclo[9.4.0.0^{2,7}]pentadeca-2,4,6-trien-13-yl]-3-oxopropoxy}propan-2-yl]oxy}-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
InChI key:IKONORYVINLXHN-DZGCQCFKSA-N

分子式:C23H27ClF3N5O5
分子量:545.94
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CN(CCN1c1ncc(Cl)c(C)c1OCC2)C(=O)CCOC[C@H](C)Oc1cn[nH]c(=O)c1C(F)(F)F
SMILES:[H][C@@]12CN(CCN1c1ncc(Cl)c(C)c1OCC2)C(=O)CCOC[C@H](C)Oc1cn[nH]c(=O)c1C(F)(F)F

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