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Ligand

NameSMR000207446
Molecular formulaC25H21N3O6
IUPAC nameN-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Molecular weight459.458
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
SynonymsN-((E)-2-(1,3-benzodioxol-5-yl)-1-{[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}vinyl)benzamide
MLS000585464
MLS003878297
CHEMBL3199768
MolPort-007-553-043
[ Show all ]
Inchi KeyABURDUMLEUCKOY-LABBUYSVSA-N
Inchi IDInChI=1S/C25H21N3O6/c1-32-22-13-17(7-9-20(22)29)14-26-28-25(31)19(27-24(30)18-5-3-2-4-6-18)11-16-8-10-21-23(12-16)34-15-33-21/h2-14,29H,15H2,1H3,(H,27,30)(H,28,31)/b19-11+,26-14+
PubChem CID135497987
ChEMBLCHEMBL3199768
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
557333Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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