General Information of the Compound
Compound ID
CP0000106
Compound Name
6-cyano-7-nitroquinoxaline-2,3-dione
    Show/Hide
Structure
Formula
C9H2N4O4
Molecular Weight
230.139
Canonical SMILES
[O-][N+](=O)c1cc2=NC(=O)C(=O)N=c2cc1C#N
    Show/Hide
InChI
InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H
    Show/Hide
InChIKey
IAWXTSMHXFRLQR-UHFFFAOYSA-N
Physicochemical Property
logP
-1.22752
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
125.79
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5353536
SID: 56336576
ChEMBL ID
CHEMBL9790
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1050 nM
   TI
   LI
   LO
   TS
Protein ID: PT02744, Metabotropic glutamate receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 23000 nM
   TI
   LI
   LO
   TS