Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-benzyl-1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]piperidine-4-carbonitrile
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 PubChem ID
CID: 142581636
Canonical SMILES
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC(Cc4ccccc4)(CC3)C#N)c2c1
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Compound Formula C31H32FN5O2
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 = 22600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 767 nM