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Ligand

NameCHEMBL3953664
Molecular formulaC25H22F6N2O2
IUPAC nameN-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-1-oxo-3,4,7,7a-tetrahydroisoindole-3a-carboxamide
Molecular weight496.453
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.3
SynonymsSCHEMBL12728681
Inchi KeyHDBGYYQQPDTCQA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22F6N2O2/c1-14-6-5-7-15(2)20(14)33-13-23(9-4-3-8-19(23)21(33)34)22(35)32-18-11-16(24(26,27)28)10-17(12-18)25(29,30)31/h3-7,10-12,19H,8-9,13H2,1-2H3,(H,32,35)
PubChem CID88954767
ChEMBLCHEMBL3953664
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
538726Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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