Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-[(5R)-3-amino-9,9-difluoro-5-methyl-2-thia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
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 PubChem ID
CID: 155516667
Canonical SMILES
C[C@@]1(N=C(N)SCC11CCC(F)(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F
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Compound Formula C22H23F4N5O2S
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 4 nM
   TI
   LI
   LO
   TS
CL000475 SK-N-BE(2)-C
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 4.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 16 nM