p38 MAP kinase inhibitor   Click here for help

GtoPdb Ligand ID: 6013

Synonyms: compound 6 [PMID: 9873604] [2]
Compound class: Synthetic organic
Comment: Please note that ChEMBL represents this compound as a tautomer of our structure.
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 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.16
Molecular weight 365.07
XLogP 5.05
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1
Isomeric SMILES Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1
InChI InChI=1S/C20H13ClFN3O/c21-15-3-7-17(8-4-15)25-20(26)18(13-1-5-16(22)6-2-13)19(24-25)14-9-11-23-12-10-14/h1-12,24H
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