General Information of the Compound
Compound ID
CP0200509
Compound Name
1-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)cyclobutanecarboxylic acid
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Structure
Formula
C23H24N2O4
Molecular Weight
392.455
Canonical SMILES
Cc1oc(nc1CCOc1ccc(CC2(CCC2)C(O)=O)cn1)-c1ccccc1
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InChI
InChI=1S/C23H24N2O4/c1-16-19(25-21(29-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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InChIKey
BBQCCIAXNMDNRO-UHFFFAOYSA-N
Physicochemical Property
logP
4.46392
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
85.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 44419786
ChEMBL ID
CHEMBL220708
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 = 238 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 633 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 = 125 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 394 nM