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Ligand

NameCHEMBL128949
Molecular formulaC12H12N2O2
IUPAC name5-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
Molecular weight216.24
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.4
Synonyms1H-Pyrazole-3-carboxylic acid, 5-[(4-methylphenyl)methyl]-
595610-53-0
5-(4-Methyl-benzyl)-1H-pyrazole-3-carboxylic acid
BDBM50132150
SCHEMBL15964772
Inchi KeyYWGSGQQFILECOE-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H12N2O2/c1-8-2-4-9(5-3-8)6-10-7-11(12(15)16)14-13-10/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
PubChem CID10878560
ChEMBLCHEMBL128949
IUPHARN/A
BindingDB50132150
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
420822Hydroxycarboxylic acid receptor 2Q80Z39Hcar2Rattus norvegicus (Rat)360

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