General Information of the Compound
Compound ID
CP0848558
Compound Name
2,3-Bis(4-methoxyphenyl)-N-methylquinoxaline-6-sulfonamide
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Structure
Formula
C23H21N3O4S
Molecular Weight
435.505
Canonical SMILES
CNS(=O)(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1
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InChI
InChI=1S/C23H21N3O4S/c1-24-31(27,28)19-12-13-20-21(14-19)26-23(16-6-10-18(30-3)11-7-16)22(25-20)15-4-8-17(29-2)9-5-15/h4-14,24H,1-3H3
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InChIKey
AAONWXGXKHTPHH-UHFFFAOYSA-N
Physicochemical Property
logP
3.8891
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: 70654233
ChEMBL ID
CHEMBL3715365
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)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 >= 10000 nM
   TI
   LI
   LO
   TS