General Information of the Compound
Compound ID
CP0237930
Compound Name
2-(4-((4-(4-Morpholinophenyl)-5-(4-biphenyl)thiazol-2-yl)-methoxy)-2-methylphenoxy)acetic Acid
    Show/Hide
Structure
Formula
C35H32N2O5S
Molecular Weight
592.717
Canonical SMILES
Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)N2CCOCC2)ccc1OCC(O)=O
    Show/Hide
InChI
InChI=1S/C35H32N2O5S/c1-24-21-30(15-16-31(24)42-23-33(38)39)41-22-32-36-34(27-11-13-29(14-12-27)37-17-19-40-20-18-37)35(43-32)28-9-7-26(8-10-28)25-5-3-2-4-6-25/h2-16,21H,17-20,22-23H2,1H3,(H,38,39)
    Show/Hide
InChIKey
NHZFTKDZUNZWTC-UHFFFAOYSA-N
Physicochemical Property
logP
7.33152
Rotatable Bonds
10
Heavy Atom Count
43
Polar Areas
81.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
43

"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: 44626887
SID: 87554037
ChEMBL ID
CHEMBL1076163
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: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 14 nM