General Information of the Compound
Compound ID
CP0276740
Compound Name
1-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)cyclopropanecarboxylic acid
    Show/Hide
Structure
Formula
C22H22N2O4
Molecular Weight
378.428
Canonical SMILES
Cc1oc(nc1CCOc1ccc(CC2(CC2)C(O)=O)cn1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C22H22N2O4/c1-15-18(24-20(28-15)17-5-3-2-4-6-17)9-12-27-19-8-7-16(14-23-19)13-22(10-11-22)21(25)26/h2-8,14H,9-13H2,1H3,(H,25,26)
    Show/Hide
InChIKey
AFJDPZQOARQRHU-UHFFFAOYSA-N
Physicochemical Property
logP
4.07382
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
85.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 44419785
ChEMBL ID
CHEMBL219005
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 = 6150 nM
   TI
   LI
   LO
   TS
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 = 1010 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7980 nM