General Information of the Compound
Compound ID
CP0058120
Compound Name
2-((6-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)-tetrahydrofuran-2-carboxylic acid
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Structure
Formula
C23H23ClN2O5
Molecular Weight
442.899
Canonical SMILES
Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-6-18(24)7-5-17)9-12-29-20-8-3-16(14-25-20)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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InChIKey
LZXNJBFDMZQYBM-UHFFFAOYSA-N
Physicochemical Property
logP
4.49622
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
94.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 44419814
ChEMBL ID
CHEMBL221474
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 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 14 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 = 42 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 52 nM