General Information of the Compound
Compound ID
CP0281362
Compound Name
2-[4-[butyl-[3-(4-chlorophenyl)-2-methylphenyl]sulfamoyl]-2-cyclohexylphenoxy]propanoic acid
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Structure
Formula
C32H38ClNO5S
Molecular Weight
584.178
Canonical SMILES
CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(c1)C1CCCCC1
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InChI
InChI=1S/C32H38ClNO5S/c1-4-5-20-34(30-13-9-12-28(22(30)2)25-14-16-26(33)17-15-25)40(37,38)27-18-19-31(39-23(3)32(35)36)29(21-27)24-10-7-6-8-11-24/h9,12-19,21,23-24H,4-8,10-11,20H2,1-3H3,(H,35,36)
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InChIKey
NVKZKIFSGZJJKK-UHFFFAOYSA-N
Physicochemical Property
logP
8.21042
Rotatable Bonds
11
Heavy Atom Count
40
Polar Areas
83.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
40

"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: 54585867
ChEMBL ID
CHEMBL1760274
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: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 15.85 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 15.85 nM