[3H]CNQX   

GtoPdb Ligand ID: 4081

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 132.65
Molecular weight 232.02
XLogP 1.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]
Isomeric SMILES N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]
InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
InChI Key RPXVIAFEQBNEAX-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
Database Links
ChEMBL Ligand CHEMBL222418
GtoPdb PubChem SID 178100904
PubChem CID 3721046
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Tocris
CNQX
Cat. No. 0190