Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US10011588, Example 59
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 PubChem ID
CID: 118308062
Canonical SMILES
FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2cc(Cl)ccc2-n2cccn2)cn1
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Compound Formula C20H18ClF3N6O
Compound Structure
Protein Name
 Protein Info 
Orexin/Hypocretin receptor type 1
Protein Classification
Membrane receptor
>
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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Orexin receptor
Uniprot ID
O43613
Gene Name
HCRTR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000278 RBL-2H3
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 = 161 nM
   TI
   LI
   LO
   TS