Brief Information of the Compound and Protein
Compound Name
N-[3-[(3R,6S)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]phenyl]-5-bromopyridine-2-carboxamide
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PubChem ID
CID: 145963432
Canonical SMILES
C[C@]1(CO[C@@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1
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Compound Formula C19H18BrF3N4O2
Compound Structure
Protein Name
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 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1161 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1077 nM
2 IC50 = 1080 nM