Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-[(1R,4R,5S)-2-amino-4-methyl-6,8-dioxa-3-azabicyclo[3.2.1]oct-2-en-4-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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 PubChem ID
CID: 145961033
Canonical SMILES
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@H]2CO[C@H]1O2)C#N
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Compound Formula C20H18FN5O3
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 25 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 53 nM