Name: Povorcitinib phosphate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214432560
Cas No:1637677-33-8
常用名:Povorcitinib phosphate
IUPAC:4-[3-(cyanomethyl)-3-{3',5'-dimethyl-1H,1'H-[4,4'-bipyrazol]-1-yl}azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide; phosphoric acid
IUPAC:4-[3-(cyanomethyl)-3-{3',5'-dimethyl-1H,1'H-[4,4'-bipyrazol]-1-yl}azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide; phosphoric acid
InChI key:XUQIWHXYCLHHCN-UQKRIMTDSA-N

分子式:C23H25F5N7O5P
分子量:605.463
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OP(O)(O)=O.C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
SMILES:OP(O)(O)=O.C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F

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