Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US8754075, 51
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 PubChem ID
CID: 86766279
Canonical SMILES
NC1=N[C@@](CF)([C@@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F
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Compound Formula C18H14F3N5O2
Compound Structure
Protein Name
 Protein Info 
Beta-secretase 1
Protein Classification
Enzyme
>
Protease
>
Aspartic protease
>
Aspartic protease AA clan
>
Aspartic protease A1A subfamily
Uniprot ID
P56817
Gene Name
BACE1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000416 INS-1E
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 = 25 nM
   TI
   LI
   LO
   TS