GSK4716   Click here for help

GtoPdb Ligand ID: 2835

Synonyms: GSK 4716 | GSK-4716
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 61.69
Molecular weight 282.14
XLogP 4.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(cc1)C(=O)NN=Cc1ccc(cc1)C(C)C
Isomeric SMILES Oc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)C(C)C
InChI InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
InChI Key IKPPIUNQWSRCOZ-WOJGMQOQSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-hydroxy-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
Synonyms Click here for help
GSK 4716 | GSK-4716
Database Links Click here for help
CAS Registry No. 101574-65-6 (source: Scifinder)
ChEMBL Ligand CHEMBL193836
GtoPdb PubChem SID 135650324
PubChem CID 5331325
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Tocris
GSK 4716
Cat. No. 3075