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Ligand

NameCHEMBL2205616
Molecular formulaC21H21F3N2O4S
IUPAC nameN-[3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-(trifluoromethoxy)benzamide
Molecular weight454.464
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50402863
Inchi KeyBKNFVLJTRIWUGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21F3N2O4S/c22-21(23,24)30-15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)31-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)
PubChem CID71463048
ChEMBLCHEMBL2205616
IUPHARN/A
BindingDB50402863
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
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GLASS IDNameUniProtGeneSpeciesLength
25938Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
25939Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
25937Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
25940Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360

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