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Ligand

NameCHEMBL86661
Molecular formulaC20H17ClN2O2
IUPAC name(E)-3-(2-chlorophenyl)-N-(4-methoxy-2-methylquinolin-6-yl)prop-2-enamide
Molecular weight352.818
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsSCHEMBL8352826
(E)-N-(4-Methoxy-2-methyl-6-quinolinyl)-2-chlorocinnamamide
Inchi KeyBEQAHAYZXLYPLS-JXMROGBWSA-N
Inchi IDInChI=1S/C20H17ClN2O2/c1-13-11-19(25-2)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-17(14)21/h3-12H,1-2H3,(H,23,24)/b10-7+
PubChem CID15133392
ChEMBLCHEMBL86661
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
21801C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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