General Information of the Compound
Compound ID
CP0473025
Compound Name
2-methyl-N-(4-methylphenyl)sulfonyl-2-[4-[2-(4-phenyldiazenylphenoxy)ethyl]phenoxy]propanamide
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Formula
C31H31N3O5S
Molecular Weight
557.672
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)NC(=O)C(C)(C)Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1
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InChI
InChI=1S/C31H31N3O5S/c1-23-9-19-29(20-10-23)40(36,37)34-30(35)31(2,3)39-28-15-11-24(12-16-28)21-22-38-27-17-13-26(14-18-27)33-32-25-7-5-4-6-8-25/h4-20H,21-22H2,1-3H3,(H,34,35)/b33-32+
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InChIKey
OLVFJUIGXOLSTO-ULIFNZDWSA-N
Physicochemical Property
logP
6.69442
Rotatable Bonds
11
Heavy Atom Count
40
Polar Areas
106.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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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ChEMBL ID
CHEMBL4644726
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: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 170 nM
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