General Information of the Compound
Compound ID
CP0372663
Compound Name
(E)-2-(2-Methyl-4-(1-(((5-methyl-2-(p-tolyl)oxazol-4-yl)-methoxy)imino)ethyl)phenoxy)acetic acid
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Structure
Formula
C23H24N2O5
Molecular Weight
408.454
Canonical SMILES
C\C(=N/OCc1nc(oc1C)-c1ccc(C)cc1)c1ccc(OCC(O)=O)c(C)c1
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InChI
InChI=1S/C23H24N2O5/c1-14-5-7-18(8-6-14)23-24-20(17(4)30-23)12-29-25-16(3)19-9-10-21(15(2)11-19)28-13-22(26)27/h5-11H,12-13H2,1-4H3,(H,26,27)/b25-16+
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InChIKey
KOKMBZJOVKNCIL-PCLIKHOPSA-N
Physicochemical Property
logP
4.67106
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
94.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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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PubChem ID
CID: 24949596
SID: 56247378
ChEMBL ID
CHEMBL1644310
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 = 150 nM
   TI
   LI
   LO
   TS
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 300 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 = 400 nM
   TI
   LI
   LO
   TS