General Information of the Compound
Compound ID
CP0158750
Compound Name
2,4-dichloro-N-[4-(5-chloropyridin-3-yl)oxy-3-cyanophenyl]benzenesulfonamide
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Structure
Formula
C18H10Cl3N3O3S
Molecular Weight
454.722
Canonical SMILES
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)c(c1)C#N
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InChI
InChI=1S/C18H10Cl3N3O3S/c19-12-1-4-18(16(21)7-12)28(25,26)24-14-2-3-17(11(5-14)8-22)27-15-6-13(20)9-23-10-15/h1-7,9-10,24H
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InChIKey
GWGJULRGKVMITG-UHFFFAOYSA-N
Physicochemical Property
logP
5.50658
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
92.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 12112546
SID: 163518239
ChEMBL ID
CHEMBL2338484
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 = 110 nM