VEGF receptor tyrosine kinase inhibitor II   Click here for help

GtoPdb Ligand ID: 6056

Synonyms: AG-E-85378
PDB Ligand
Compound class: Synthetic organic
Comment: This is compound 10 in [2]. The article does not clearly indicate the speciesused to derive the VEGFR2 protein used in the kinase assays. We map this data to the human protein.
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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 6
Topological polar surface area 54.02
Molecular weight 337.1
XLogP 4.15
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(cc1)NC(=O)c1ccccc1NCc1ccncc1
Isomeric SMILES Clc1ccc(cc1)NC(=O)c1ccccc1NCc1ccncc1
InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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Molecular structure representations generated using Open Babel