Brief Information of the Compound and Protein
Compound Name
 Compound Info 
MLS000591280
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 PubChem ID
CID: 1046754
Canonical SMILES
[O-][N+](=O)c1ccc2nc(NC(NC(=O)c3cccnc3)(C(F)(F)F)C(F)(F)F)sc2c1
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Compound Formula C16H9F6N5O3S
Compound Structure
Protein Name
 Protein Info 
Isocitrate dehydrogenase [NADP] cytoplasmic
Protein Classification
Enzyme
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Oxidoreductase
Uniprot ID
O75874
Gene Name
IDH1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 9200 nM
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