Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-benzyl-1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperidine-4-carbonitrile
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 PubChem ID
CID: 142581290
Canonical SMILES
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(Cc2ccccc2)(CC1)C#N
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Compound Formula C28H30FN5O3S
Compound Structure
Protein Name
 Protein Info 
Aldehyde dehydrogenase 1A1
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P00352
Gene Name
ALDH1A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000207 MIA PaCa-2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 4510 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 574 nM