Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-[(3R)-5-amino-3-(difluoromethyl)-1,9-dioxa-4-azaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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 PubChem ID
CID: 145953996
Canonical SMILES
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CCOCC2)C(N)=N1)C(F)F)C#N
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Compound Formula C23H22F3N5O3
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 = 11 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 28 nM