General Information of the Compound
Compound ID
CP0853141
Compound Name
2,3-Di-(2-hydroxyphenyl)quinoxaline-6-carboxylic acid
    Show/Hide
Structure
Formula
C21H14N2O4
Molecular Weight
358.353
Canonical SMILES
O=C(O)c1ccc2nc(-c3ccccc3O)c(-c3ccccc3O)nc2c1
    Show/Hide
InChI
InChI=1S/C21H14N2O4/c24-17-7-3-1-5-13(17)19-20(14-6-2-4-8-18(14)25)23-16-11-12(21(26)27)9-10-15(16)22-19/h1-11,24-25H,(H,26,27)
    Show/Hide
InChIKey
IJTQJAGPUCIEKD-UHFFFAOYSA-N
Physicochemical Property
logP
4.0732
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
103.54
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 978539
ChEMBL ID
CHEMBL3716016
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