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Ligand

NameCHEMBL3987046
Molecular formulaC21H18F6N2O2
IUPAC nameN-[3,5-bis(trifluoromethyl)phenyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Molecular weight444.377
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL12728552
Inchi KeyAFGMZKYHEAHOIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F6N2O2/c1-11-4-3-5-17(12(11)2)29-10-13(6-18(29)30)19(31)28-16-8-14(20(22,23)24)7-15(9-16)21(25,26)27/h3-5,7-9,13H,6,10H2,1-2H3,(H,28,31)
PubChem CID88954745
ChEMBLCHEMBL3987046
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
536031Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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