General Information of the Compound
Compound ID
CP0435137
Compound Name
N-[4-(5-acetylpyridin-3-yl)oxy-3,5-dichlorophenyl]-2,4-dichlorobenzenesulfonamide
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Structure
Formula
C19H12Cl4N2O4S
Molecular Weight
506.194
Canonical SMILES
CC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
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InChI
InChI=1S/C19H12Cl4N2O4S/c1-10(26)11-4-14(9-24-8-11)29-19-16(22)6-13(7-17(19)23)25-30(27,28)18-3-2-12(20)5-15(18)21/h2-9,25H,1H3
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InChIKey
GIORSITYZQXFRS-UHFFFAOYSA-N
Physicochemical Property
logP
6.4909
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
85.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 71525219
SID: 163518344
ChEMBL ID
CHEMBL2338482
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 = 300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 34 nM