General Information of the Compound
Compound ID
CP0916655
Compound Name
N-(2,3-Bis(4-methoxyphenyl)quinoxalin-6-yl)methanesulfonamide
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Structure
Formula
C23H21N3O4S
Molecular Weight
435.505
Canonical SMILES
COc1ccc(-c2nc3ccc(NS(C)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1
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InChI
InChI=1S/C23H21N3O4S/c1-29-18-9-4-15(5-10-18)22-23(16-6-11-19(30-2)12-7-16)25-21-14-17(26-31(3,27)28)8-13-20(21)24-22/h4-14,26H,1-3H3
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InChIKey
WDEXQWXXFTXGFZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3525
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
90.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 70654239
ChEMBL ID
CHEMBL3717570
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