AG 1296   Click here for help

GtoPdb Ligand ID: 5915

Synonyms: AG-1296 | AG1296 | tyrphostin AG-1296
Compound class: Synthetic organic
Comment: AG 1296 is a potent and selective inhibitor of PDGF receptor kinase [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 44.24
Molecular weight 266.11
XLogP 2.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2nc(cnc2cc1OC)c1ccccc1
Isomeric SMILES COc1cc2nc(cnc2cc1OC)c1ccccc1
InChI InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChI Key QNOXYUNHIGOWNY-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel