General Information of the Compound
Compound ID
CP0292262
Compound Name
(S)-2-Dimethylamino-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
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Structure
Formula
C23H26N2O4
Molecular Weight
394.471
Canonical SMILES
CN(C)[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
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InChI
InChI=1S/C23H26N2O4/c1-16-20(24-22(29-16)18-7-5-4-6-8-18)13-14-28-19-11-9-17(10-12-19)15-21(23(26)27)25(2)3/h4-12,21H,13-15H2,1-3H3,(H,26,27)/t21-/m0/s1
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InChIKey
ZIACYBMFSHANKX-NRFANRHFSA-N
Physicochemical Property
logP
3.82882
Rotatable Bonds
9
Heavy Atom Count
29
Polar Areas
75.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 44335992
ChEMBL ID
CHEMBL318104
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: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 410 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 850 nM