Brief Information of the Compound and Protein
Compound Name
(3aR,6aS)-5-(2-chloro-4-fluorophenoxy)-2-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
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Canonical SMILES
COCc1nnc(N2C[C@@H]3C[C@@H](C[C@@H]3C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
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Compound Formula C23H25ClFN5O3
Compound Structure
Protein Name
Oxytocin receptor
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Vasopressin and oxytocin receptor
Uniprot ID
P30559
Gene Name
OXTR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1379 nM
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   LI
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   TS