compound 1q [PMID: 18029181]

Ligand id: 5792

Name: compound 1q [PMID: 18029181]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 118.89
Molecular weight 393.14
XLogP 2.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
2-[[4-(6-oxo-4H-quinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid
Comments
The chemical structure of this compound is drawn from the article which describes its discovery [1]. The PubChem entry linked to in the table above shows a different tautomer.
Database Links
ChEMBL Ligand CHEMBL398496
GtoPdb PubChem SID 178102417
PubChem CID 16048842
Search Google for chemical match using the InChIKey YBFBENHWPRGUMU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YBFBENHWPRGUMU
Search UniChem for chemical match using the InChIKey YBFBENHWPRGUMU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YBFBENHWPRGUMU