Chk2 inhibitor II   

GtoPdb Ligand ID: 5954

Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 81
Molecular weight 363.08
XLogP 4.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)N
Isomeric SMILES Clc1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)N
InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChI Key UXGJAOIJSROTTN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(4-chlorophenoxy)phenyl]-1H-1,3-benzodiazole-6-carboxamide
Database Links
CAS Registry No. 516480-79-8
ChEMBL Ligand CHEMBL179583
GtoPdb PubChem SID 178102577
PubChem CID 9969021
RCSB PDB Ligand RU5
Search Google for chemical match using the InChIKey UXGJAOIJSROTTN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UXGJAOIJSROTTN
Search UniChem for chemical match using the InChIKey UXGJAOIJSROTTN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UXGJAOIJSROTTN