General Information of the Compound
Compound ID
CP0474314
Compound Name
2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)benzenesulfonamide
    Show/Hide
Structure
Formula
C21H13Cl3N2O3S
Molecular Weight
479.772
Canonical SMILES
Clc1ccccc1S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
    Show/Hide
InChI
InChI=1S/C21H13Cl3N2O3S/c22-16-6-2-4-8-20(16)30(27,28)26-14-10-17(23)21(18(24)11-14)29-15-9-13-5-1-3-7-19(13)25-12-15/h1-12,26H
    Show/Hide
InChIKey
OECOHSGSPYMREU-UHFFFAOYSA-N
Physicochemical Property
logP
6.7881
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 137638058
ChEMBL ID
CHEMBL4071197
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: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 5810 nM
   TI
   LI
   LO
   TS