GSK-3beta inhibitor II   Click here for help

GtoPdb Ligand ID: 5978

Synonyms: GSK-3b inhibitor II
Compound class: Synthetic organic
Comment: This is compound 12 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 77.11
Molecular weight 394.96
XLogP 4.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Ic1cccc(c1)CSc1nnc(o1)c1ccncc1
Isomeric SMILES Ic1cccc(c1)CSc1nnc(o1)c1ccncc1
InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
InChI Key ZRHRPGSSSVYBRG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(5-{[(3-iodophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
Synonyms Click here for help
GSK-3b inhibitor II
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9687679
Reactome Reaction Reactome logo R-HSA-9687724
Other databases
CAS Registry No. 478482-75-6
ChEMBL Ligand CHEMBL288064
GtoPdb PubChem SID 178102601
PubChem CID 6539732
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