General Information of the Compound
Compound ID
CP0374299
Compound Name
2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(cyclobutoxycarbonyl)amino)acetic acid
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Structure
Formula
C25H25ClN2O6
Molecular Weight
484.936
Canonical SMILES
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OC2CCC2)c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C25H25ClN2O6/c1-16-22(27-24(33-16)18-8-10-19(26)11-9-18)15-32-21-7-2-4-17(12-21)13-28(14-23(29)30)25(31)34-20-5-3-6-20/h2,4,7-12,20H,3,5-6,13-15H2,1H3,(H,29,30)
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InChIKey
DBKTZXWSVJBIFZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.45812
Rotatable Bonds
9
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: 46196685
SID: 96050527
ChEMBL ID
CHEMBL1092237
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 = 12.5 nM
   TI
   LI
   LO
   TS
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 = 905 nM
   TI
   LI
   LO
   TS