General Information of the Compound
Compound ID
CP0181470
Compound Name
2,4-dichloro-N-(3,5-dichloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide
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Structure
Formula
C21H12Cl4N2O3S
Molecular Weight
514.217
Canonical SMILES
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1
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InChI
InChI=1S/C21H12Cl4N2O3S/c22-13-3-6-20(16(23)9-13)31(28,29)27-14-10-17(24)21(18(25)11-14)30-15-4-5-19-12(8-15)2-1-7-26-19/h1-11,27H
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InChIKey
BZNKJBLTXSCEIN-UHFFFAOYSA-N
Physicochemical Property
logP
7.4415
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
68.29
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: 58031728
SID: 163518392
ChEMBL ID
CHEMBL2338477
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 = 70 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM