compound 1q [PMID: 18029181]

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Ligands
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

IUPAC Name

2-[[4-(6-oxo-4H-quinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid

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

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.

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.