NBQX   

GtoPdb Ligand ID: 4264

Synonyms: 2,3-dihydroxy-6-nitro-7-sulfamoylbenzo(f)quinoxaline
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 177.4
Molecular weight 336.02
XLogP 1.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1c(ccc2)S(=O)(=O)N
Isomeric SMILES [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1c(ccc2)S(=O)(=O)N
InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
InChI Key UQNAFPHGVPVTAL-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-nitro-2,3-dioxo-1H,2H,3H,4H-benzo[f]quinoxaline-7-sulfonamide
Synonyms
2,3-dihydroxy-6-nitro-7-sulfamoylbenzo(f)quinoxaline
Database Links
CAS Registry No. 118876-58-7 (source: Scifinder)
ChEMBL Ligand CHEMBL222519
GtoPdb PubChem SID 178101081
PubChem CID 3272524
RCSB PDB Ligand E2Q
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NBQX
Cat. No. 0373