General Information of the Compound
Compound ID
CP0233217
Compound Name
2,4-dichloro-N-[3,5-dichloro-4-(5-cyanopyridin-3-yl)oxyphenyl]benzenesulfonamide
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Structure
Formula
C18H9Cl4N3O3S
Molecular Weight
489.167
Canonical SMILES
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(c2)C#N)c(Cl)c1
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InChI
InChI=1S/C18H9Cl4N3O3S/c19-11-1-2-17(14(20)4-11)29(26,27)25-12-5-15(21)18(16(22)6-12)28-13-3-10(7-23)8-24-9-13/h1-6,8-9,25H
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InChIKey
HYZYVEZIXMCICK-UHFFFAOYSA-N
Physicochemical Property
logP
6.15998
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
92.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 71525169
SID: 163518290
ChEMBL ID
CHEMBL2338479
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 = 80 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 27 nM