Name: PD-1-IN-24
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323356
Cas No:2360909-50-6
常用名:PD-1-IN-24
IUPAC:(2S)-3-hydroxy-2-methyl-2-[({3-[(1E)-2-{2-methyl-[1,1'-biphenyl]-3-yl}ethenyl]-4-(trifluoromethyl)phenyl}methyl)amino]propanoic acid
IUPAC:(2S)-3-hydroxy-2-methyl-2-[({3-[(1E)-2-{2-methyl-[1,1'-biphenyl]-3-yl}ethenyl]-4-(trifluoromethyl)phenyl}methyl)amino]propanoic acid
InChI key:ITARRJJJADSSAW-JYSHFMIGSA-N

分子式:C27H26F3NO3
分子量:469.504
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1c(\C=C\c2cc(CN[C@@](C)(CO)C(O)=O)ccc2C(F)(F)F)cccc1-c1ccccc1
SMILES:Cc1c(\C=C\c2cc(CN[C@@](C)(CO)C(O)=O)ccc2C(F)(F)F)cccc1-c1ccccc1

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