Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-chloro-4-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2lambda6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenol
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 PubChem ID
CID: 66930669
SID: 163475166
Canonical SMILES
C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)c(Cl)c1
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Compound Formula C21H25ClFN3O3S
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
CL000008 H4
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 350 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1600 nM