General Information of the Compound
Compound ID
CP0525467
Compound Name
2-methyl-2-[4-[2-(4-phenyldiazenylphenoxy)ethyl]phenoxy]propanamide
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Formula
C24H25N3O3
Molecular Weight
403.482
Canonical SMILES
CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(N)=O
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InChI
InChI=1S/C24H25N3O3/c1-24(2,23(25)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)27-26-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H2,25,28)/b27-26+
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InChIKey
SPLWFINJXYMQME-CYYJNZCTSA-N
Physicochemical Property
logP
5.3662
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
86.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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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ChEMBL ID
CHEMBL4635054
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 = 2980 nM
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