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Ligand

NameMLS000587278
Molecular formulaC23H25N3O3
IUPAC nameN-[(E)-[5-(diethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Molecular weight391.471
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsHydroxy-diphenyl-acetic acid [1-(5-diethylamino-furan-2-yl)-meth-(E)-ylidene]-hydrazide
STK200814
N'-{(E)-[5-(diethylamino)furan-2-yl]methylidene}-2-hydroxy-2,2-diphenylacetohydrazide
SMR000211292
ZINC15979592
[ Show all ]
Inchi KeyAJFXAKTZPJLPHS-JJIBRWJFSA-N
Inchi IDInChI=1S/C23H25N3O3/c1-3-26(4-2)21-16-15-20(29-21)17-24-25-22(27)23(28,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,28H,3-4H2,1-2H3,(H,25,27)/b24-17+
PubChem CID6882968
ChEMBLCHEMBL3210236
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
6877Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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