AG1478   Click here for help

GtoPdb Ligand ID: 4862

Synonyms: AG 1478 | AG-1478 | tyrphostin AG1478
PDB Ligand
Compound class: Synthetic organic
Comment: Tyrphostin AG 1478 is a selective inhibitor of the EGFR tyrosine kinase. It is compound 4 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 1
Rotatable bonds 4
Topological polar surface area 56.27
Molecular weight 315.08
XLogP 3.21
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl
Isomeric SMILES COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl
InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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Molecular structure representations generated using Open Babel