General Information of the Compound
Compound ID
CP0476713
Compound Name
2-[2-[3-[2-[(2,4-dichlorophenyl)methyl]-5-propan-2-yloxypyrazol-3-yl]propoxy]-3-methoxyphenyl]acetic acid
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Structure
Formula
C25H28Cl2N2O5
Molecular Weight
507.414
Canonical SMILES
COc1cccc(CC(O)=O)c1OCCCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
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InChI
InChI=1S/C25H28Cl2N2O5/c1-16(2)34-23-14-20(29(28-23)15-18-9-10-19(26)13-21(18)27)7-5-11-33-25-17(12-24(30)31)6-4-8-22(25)32-3/h4,6,8-10,13-14,16H,5,7,11-12,15H2,1-3H3,(H,30,31)
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InChIKey
KEUHGGAIQSDJNM-UHFFFAOYSA-N
Physicochemical Property
logP
5.6727
Rotatable Bonds
12
Heavy Atom Count
34
Polar Areas
82.81
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: 11555240
SID: 16657447
ChEMBL ID
CHEMBL1933819
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2.3 nM
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