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Ligand

NameCHEMBL3957545
Molecular formulaC23H20F6N2O3
IUPAC name(3aR,6aS)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,6-dimethylphenyl)-6-oxo-2,3,4,6a-tetrahydrofuro[2,3-c]pyrrole-3a-carboxamide
Molecular weight486.414
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL12728523
Inchi KeyKAZXVVJFETXMIN-WIYYLYMNSA-N
Inchi IDInChI=1S/C23H20F6N2O3/c1-12-4-3-5-13(2)17(12)31-11-21(6-7-34-18(21)19(31)32)20(33)30-16-9-14(22(24,25)26)8-15(10-16)23(27,28)29/h3-5,8-10,18H,6-7,11H2,1-2H3,(H,30,33)/t18-,21-/m1/s1
PubChem CID88954741
ChEMBLCHEMBL3957545
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
540212Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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