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Ligand

NameMLS000331633
Molecular formulaC22H15NO5
IUPAC name[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2-methoxybenzoate
Molecular weight373.364
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsSMR000220672
(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2-methoxybenzoate
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2-methoxybenzoate
1164520-03-9
2-Methoxy-benzoic acid 3-oxo-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-2,3-dihydro-benzofuran-6-yl ester
[ Show all ]
Inchi KeyAEWHVTGTVLCLPQ-NDENLUEZSA-N
Inchi IDInChI=1S/C22H15NO5/c1-26-18-5-3-2-4-17(18)22(25)27-15-6-7-16-19(13-15)28-20(21(16)24)12-14-8-10-23-11-9-14/h2-13H,1H3/b20-12-
PubChem CID1996694
ChEMBLCHEMBL1366427
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3909Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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