General Information of the Compound
Compound ID
CP0447511
Compound Name
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-(5-chloropyridin-3-yl)oxybenzoate
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Structure
Formula
C20H16Cl2N2O5S
Molecular Weight
467.33
Canonical SMILES
CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1
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InChI
InChI=1S/C20H16Cl2N2O5S/c1-2-28-20(25)18-10-15(24-30(26,27)17-6-3-13(21)4-7-17)5-8-19(18)29-16-9-14(22)11-23-12-16/h3-12,24H,2H2,1H3
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InChIKey
ATATWYPMZHQPEU-UHFFFAOYSA-N
Physicochemical Property
logP
5.1582
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
94.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 2800607
SID: 14784988
ChEMBL ID
CHEMBL2331784
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 = 200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 80 nM