compound 8h [PMID: 22765894]   Click here for help

GtoPdb Ligand ID: 8175

Compound class: Synthetic organic
Comment: Compound 8h is reported to be a potent inhibitor of several receptor tyrosine kinases, including VEGFRs 1-3, PDGFR, and FGFR1, as well the Src family kinases Src and Yes and the serine threonine kinases MAP4K3 and Rsk2 [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 73.05
Molecular weight 447.18
XLogP 4
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2
Isomeric SMILES CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2
InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel