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Ligand

NameCHEMBL3986622
Molecular formulaC24H20F8N2O2
IUPAC nameN-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-5,5-difluoro-3-oxo-1,3a,4,6-tetrahydrocyclopenta[c]pyrrole-6a-carboxamide
Molecular weight520.423
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.3
SynonymsSCHEMBL12728441
Inchi KeyDUFXQATXWTUIFT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20F8N2O2/c1-12-4-3-5-13(2)18(12)34-11-21(10-22(25,26)9-17(21)19(34)35)20(36)33-16-7-14(23(27,28)29)6-15(8-16)24(30,31)32/h3-8,17H,9-11H2,1-2H3,(H,33,36)
PubChem CID88954713
ChEMBLCHEMBL3986622
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This 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
537672Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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