Brief Information of the Compound and Protein
Compound Name
(S)-3-(4-(3-(4-chlorobenzyl)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)piperidin-1-yl)-1H-1,2,4-triazol-5-amine
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PubChem ID
CID: 126642082
Canonical SMILES
Nc1nc(N2CCC(N3Cc4ccccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1
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Compound Formula C23H27ClN6O
Compound Structure
Protein Name
Chitotriosidase-1
Protein Classification
Enzyme
Uniprot ID
Q13231
Gene Name
CHIT1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 915 nM
   TI
   LI
   LO
   TS
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 915 nM
   TI
   LI
   LO
   TS