Brief Information of the Compound and Protein
Compound Name
N-{3-[(2R,3R)-5-Amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
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PubChem ID
CID: 127255875
Canonical SMILES
C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)CO[C@H]1C(F)(F)F
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Compound Formula C19H15F4N5O2
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
CL000475 SK-N-BE(2)-C Homo sapiens (Human)  1
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 22.2 nM