General Information of the Compound
Compound ID
CP0530155
Compound Name
N-(4-chlorophenyl)sulfonyl-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-(2-methoxyethoxy)phenyl]propanamide
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Structure
Formula
C24H21Cl2F3N2O6S
Molecular Weight
593.407
Canonical SMILES
COCCOc1ccc(CCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ncc(cc2Cl)C(F)(F)F)c1
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InChI
InChI=1S/C24H21Cl2F3N2O6S/c1-35-10-11-36-18-6-2-15(3-9-22(32)31-38(33,34)19-7-4-17(25)5-8-19)21(13-18)37-23-20(26)12-16(14-30-23)24(27,28)29/h2,4-8,12-14H,3,9-11H2,1H3,(H,31,32)
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InChIKey
NFBIZSDAEFXMOW-UHFFFAOYSA-N
Physicochemical Property
logP
5.6624
Rotatable Bonds
11
Heavy Atom Count
38
Polar Areas
103.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
38

"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: 68553559
ChEMBL ID
CHEMBL2024605
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 = 8.6 nM
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