compound 4g [PMID: 2680437]   Click here for help

GtoPdb Ligand ID: 9198

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Compound 4g is a GSK-3β inhibitor with anti-inflammatory activity [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 78.22
Molecular weight 327.05
XLogP 2.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1oc2c(n1Cc1nnn(c1)c1ccccc1Cl)nccc2
Isomeric SMILES O=c1oc2c(n1Cc1nnn(c1)c1ccccc1Cl)nccc2
InChI InChI=1S/C15H10ClN5O2/c16-11-4-1-2-5-12(11)21-9-10(18-19-21)8-20-14-13(23-15(20)22)6-3-7-17-14/h1-7,9H,8H2
InChI Key DVUFHXDFLFFOFE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-{[1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-2H,3H-[1,3]oxazolo[4,5-b]pyridin-2-one
Database Links Click here for help
BindingDB Ligand 189387
GtoPdb PubChem SID 340590210
PubChem CID 121486665
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