Brief Information of the Compound and Protein
Compound Name
methyl 4,4,5,5,6,6,6-heptafluoro-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]hex-2-enoate
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Canonical SMILES
COC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)C(F)(F)C(F)(F)F
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Compound Formula C14H11F7N2O4
Compound Structure
Protein Name
Cocaine esterase
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
O00748
Gene Name
CES2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000265 NS0 Mus musculus (Mouse)  1
1
IC50 = 230.09 nM
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