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Ligand

Name(4-Chloro-phenyl)-acetic acid (2-hydroxy-3-methyl-benzylidene)-hydrazide
Molecular formulaC16H15ClN2O2
IUPAC name2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
Molecular weight302.758
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.4
SynonymsAC1NTO89
N-[(1E)-2-(2-hydroxy-3-methylphenyl)-1-azavinyl]-2-(4-chlorophenyl)acetamide
BAS 00593018
SR-01000315811
2-(4-chlorophenyl)-N'-[(E)-(2-hydroxy-3-methylphenyl)methylidene]acetohydrazide
[ Show all ]
Inchi KeyAATQCXWHTKSDAE-VCHYOVAHSA-N
Inchi IDInChI=1S/C16H15ClN2O2/c1-11-3-2-4-13(16(11)21)10-18-19-15(20)9-12-5-7-14(17)8-6-12/h2-8,10,21H,9H2,1H3,(H,19,20)/b18-10+
PubChem CID135531710
ChEMBLCHEMBL1993993
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
557322Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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