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Ligand

NameCHEMBL3929292
Molecular formulaC23H22F6N2O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxamide
Molecular weight472.431
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.3
SynonymsSCHEMBL15251210
Inchi KeyAODSSYQJXRAKCV-SZNDQCEHSA-N
Inchi IDInChI=1S/C23H22F6N2O2/c1-12-6-5-7-13(2)18(12)31-11-21(4,14(3)19(31)32)20(33)30-17-9-15(22(24,25)26)8-16(10-17)23(27,28)29/h5-10,14H,11H2,1-4H3,(H,30,33)/t14-,21+/m1/s1
PubChem CID51035113
ChEMBLCHEMBL3929292
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
536252Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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