Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
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Canonical SMILES
C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F
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Compound Formula C20H20F2N4O3S
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
CL000151 SK-N-BE(2)
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.93 nM