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Ligand

NameMLS000087136
Molecular formulaC23H21ClN4O4
IUPAC nameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
Molecular weight452.895
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsSMR000023359
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)isoxazole-3-carboxamide
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
AC1MMDSW
MLS001367838
[ Show all ]
Inchi KeyAAXMQQXWRPGRCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
PubChem CID3237184
ChEMBLCHEMBL1401044
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
604Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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