General Information of the Compound
Compound ID
CP0200515
Compound Name
2-ethoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
    Show/Hide
Structure
Formula
C22H24N2O5
Molecular Weight
396.443
Canonical SMILES
CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
    Show/Hide
InChI
InChI=1S/C22H24N2O5/c1-3-27-19(22(25)26)13-16-9-10-20(23-14-16)28-12-11-18-15(2)29-21(24-18)17-7-5-4-6-8-17/h4-10,14,19H,3,11-13H2,1-2H3,(H,25,26)
    Show/Hide
InChIKey
JTZPVQRNTCZQFO-UHFFFAOYSA-N
Physicochemical Property
logP
3.69872
Rotatable Bonds
10
Heavy Atom Count
29
Polar Areas
94.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44419776
ChEMBL ID
CHEMBL220597
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
EC50 = 33 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 43 nM
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 150 nM