Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-[(4aR,7aS)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
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 PubChem ID
CID: 44198935
SID: 85194905
Canonical SMILES
NC1=N[C@]2(CCC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
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Compound Formula C19H18F2N4OS
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
CL000008 H4
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 38.4 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 25.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20.3 nM
2 IC50 = 42 nM