General Information of the Compound
Compound ID
CP0292010
Compound Name
2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-2-yl)methyl)-tetrahydro-2H-pyran-2-carboxylic acid
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Structure
Formula
C24H26N2O5
Molecular Weight
422.481
Canonical SMILES
Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)nc1)-c1ccccc1
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InChI
InChI=1S/C24H26N2O5/c1-17-21(26-22(31-17)18-7-3-2-4-8-18)11-14-29-20-10-9-19(25-16-20)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
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InChIKey
NODVIYUFBGWXDK-UHFFFAOYSA-N
Physicochemical Property
logP
4.23292
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: 44419807
ChEMBL ID
CHEMBL435512
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1800 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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1100 nM