General Information of the Compound
Compound ID
CP0153537
Compound Name
2,4-dichloro-N-(3-chloro-4-quinolin-3-yloxyphenyl)benzenesulfonamide
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Structure
Formula
C21H13Cl3N2O3S
Molecular Weight
479.772
Canonical SMILES
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cnc3ccccc3c2)c(Cl)c1
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InChI
InChI=1S/C21H13Cl3N2O3S/c22-14-5-8-21(18(24)10-14)30(27,28)26-15-6-7-20(17(23)11-15)29-16-9-13-3-1-2-4-19(13)25-12-16/h1-12,26H
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InChIKey
ZPKQAKFFLWOJGU-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).

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PubChem ID
CID: 71525220
SID: 163518345
ChEMBL ID
CHEMBL2338472
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM