Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-43-49R,11R)-7-Amino-9-methyl-11-oxido-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepin-9-yl)-4-fluorophenyl)ethynyl)benzonitrile 2,2,2-trifluoroacetate
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 PubChem ID
CID: 122660245
Canonical SMILES
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N
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Compound Formula C23H22FN5OS
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 21 nM
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