General Information of the Compound
Compound ID
CP0894119
Compound Name
2,3-Bis(4-ethylphenyl)-N-methoxyquinoxaline-6-carboxamide
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Structure
Formula
C26H25N3O2
Molecular Weight
411.505
Canonical SMILES
CCc1ccc(-c2nc3ccc(C(=O)NOC)cc3nc2-c2ccc(CC)cc2)cc1
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InChI
InChI=1S/C26H25N3O2/c1-4-17-6-10-19(11-7-17)24-25(20-12-8-18(5-2)9-13-20)28-23-16-21(26(30)29-31-3)14-15-22(23)27-24/h6-16H,4-5H2,1-3H3,(H,29,30)
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InChIKey
GPOHIHAQGOSKCM-UHFFFAOYSA-N
Physicochemical Property
logP
5.3798
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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).

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PubChem ID
CID: 86718147
ChEMBL ID
CHEMBL3714938
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