AG 112   Click here for help

GtoPdb Ligand ID: 5913

Synonyms: AG-112 | AG112 | tyrphostin A48 | tyrphostin AG 112
Compound class: Synthetic organic
Comment: AG 112 is a tyrphostin compound that acts as an inhibitor of the epidermal growth factor receptor (EGFR) tyrosine kinase. AG 112 is compound 48 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 117.62
Molecular weight 236.07
XLogP 0.67
No. Lipinski's rules broken 0
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Canonical SMILES N#CC(=Cc1ccc(cc1)O)C(=C(C#N)C#N)N
Isomeric SMILES N#C/C(=C\c1ccc(cc1)O)/C(=C(C#N)C#N)N
InChI InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2/b10-5+
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Molecular structure representations generated using Open Babel