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Ligand

NameCHEMBL3943343
Molecular formulaC21H18F6N2O2
IUPAC nameN-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Molecular weight444.377
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL12728645
Inchi KeyBWCVCEGIVOODDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F6N2O2/c1-12-5-3-4-6-16(12)29-11-19(2,10-17(29)30)18(31)28-15-8-13(20(22,23)24)7-14(9-15)21(25,26)27/h3-9H,10-11H2,1-2H3,(H,28,31)
PubChem CID51034885
ChEMBLCHEMBL3943343
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
536876Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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