General Information of the Compound
Compound ID
CP0861974
Compound Name
2,3-Di-(3,4-dimethoxyphenyl)quinoxaline-6-carboxylic acid
    Show/Hide
Structure
Formula
C25H22N2O6
Molecular Weight
446.459
Canonical SMILES
COc1ccc(-c2nc3ccc(C(=O)O)cc3nc2-c2ccc(OC)c(OC)c2)cc1OC
    Show/Hide
InChI
InChI=1S/C25H22N2O6/c1-30-19-9-6-14(12-21(19)32-3)23-24(15-7-10-20(31-2)22(13-15)33-4)27-18-11-16(25(28)29)5-8-17(18)26-23/h5-13H,1-4H3,(H,28,29)
    Show/Hide
InChIKey
QDOUPYCBACEGAR-UHFFFAOYSA-N
Physicochemical Property
logP
4.6964
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 3345332
ChEMBL ID
CHEMBL3715275
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: PT01628, PAS domain-containing serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 >= 10000 nM
   TI
   LI
   LO
   TS