General Information of the Compound
Compound ID
CP0301380
Compound Name
2,4-dichloro-N-[4-(5-chloropyridin-3-yl)oxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
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Structure
Formula
C18H10Cl3F3N2O3S
Molecular Weight
497.709
Canonical SMILES
FC(F)(F)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
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InChI
InChI=1S/C18H10Cl3F3N2O3S/c19-10-1-4-17(15(21)6-10)30(27,28)26-12-2-3-16(14(7-12)18(22,23)24)29-13-5-11(20)8-25-9-13/h1-9,26H
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InChIKey
GVNJSJWCBCKBBJ-UHFFFAOYSA-N
Physicochemical Property
logP
6.6537
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 22993886
SID: 163518238
ChEMBL ID
CHEMBL2338483
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 = 66 nM