General Information of the Compound
Compound ID
CP0240988
Compound Name
2-[4-[butyl-[3-(4-chlorophenyl)-2,4,6-trimethylphenyl]sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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Structure
Formula
C30H36ClNO5S
Molecular Weight
558.14
Canonical SMILES
CCCCN(c1c(C)cc(C)c(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
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InChI
InChI=1S/C30H36ClNO5S/c1-8-9-16-32(29-19(3)17-18(2)28(22(29)6)24-10-12-25(31)13-11-24)38(35,36)27-15-14-26(20(4)21(27)5)37-23(7)30(33)34/h10-15,17,23H,8-9,16H2,1-7H3,(H,33,34)
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InChIKey
UELOYCXVTMFRNT-UHFFFAOYSA-N
Physicochemical Property
logP
7.3964
Rotatable Bonds
10
Heavy Atom Count
38
Polar Areas
83.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
38

"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: 54586871
ChEMBL ID
CHEMBL1760420
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10000 nM