General Information of the Compound
Compound ID
CP0367911
Compound Name
2-(5-chloropyridin-3-yl)oxy-5-[(3,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
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Structure
Formula
C20H16Cl3N3O4S
Molecular Weight
500.791
Canonical SMILES
CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1Oc1cncc(Cl)c1
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InChI
InChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-8-13(3-6-19(16)30-14-7-12(21)10-24-11-14)26-31(28,29)15-4-5-17(22)18(23)9-15/h3-11,26H,2H2,1H3,(H,25,27)
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InChIKey
VRSDQBOAXJCQAK-UHFFFAOYSA-N
Physicochemical Property
logP
5.3846
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
97.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 71525047
SID: 163518151
ChEMBL ID
CHEMBL2331775
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 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 35 nM