General Information of the Compound
Compound ID
CP0177663
Compound Name
2,4-dichloro-N-[3,5-dichloro-4-(5-methylpyridin-3-yl)oxyphenyl]benzenesulfonamide
    Show/Hide
Structure
Formula
C18H12Cl4N2O3S
Molecular Weight
478.184
Canonical SMILES
Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
    Show/Hide
InChI
InChI=1S/C18H12Cl4N2O3S/c1-10-4-13(9-23-8-10)27-18-15(21)6-12(7-16(18)22)24-28(25,26)17-3-2-11(19)5-14(17)20/h2-9,24H,1H3
    Show/Hide
InChIKey
GVPOBQMDDUCYKM-UHFFFAOYSA-N
Physicochemical Property
logP
6.59672
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 71525170
SID: 163518291
ChEMBL ID
CHEMBL2338480
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 = 90 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19 nM