General Information of the Compound
Compound ID
CP0190238
Compound Name
2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-propoxycarbonylamino]acetic acid
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Structure
Formula
C24H24ClFN2O6
Molecular Weight
490.915
Canonical SMILES
CCCOC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
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InChI
InChI=1S/C24H24ClFN2O6/c1-3-10-32-24(31)28(13-22(29)30)12-17-11-19(8-9-20(17)26)33-14-21-15(2)34-23(27-21)16-4-6-18(25)7-5-16/h4-9,11H,3,10,12-14H2,1-2H3,(H,29,30)
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InChIKey
IGBGKFRTXCLXHW-UHFFFAOYSA-N
Physicochemical Property
logP
5.45472
Rotatable Bonds
10
Heavy Atom Count
34
Polar Areas
102.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 127043847
ChEMBL ID
CHEMBL3826990
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 3.4 nM
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Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2013 nM
   TI
   LI
   LO
   TS