Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-[(2S,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyrazine-2-carboxamide
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 PubChem ID
CID: 122195843
Canonical SMILES
C[C@@]1(N=C(N)CO[C@@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F
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Compound Formula C17H14ClF4N5O2
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 = 14 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 110 nM