General Information of the Compound
Compound ID
CP0367910
Compound Name
2-(5-chloropyridin-3-yl)oxy-5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylbenzamide
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Structure
Formula
C21H16Cl2F3N3O4S
Molecular Weight
534.343
Canonical SMILES
CCNC(=O)c1cc(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)ccc1Oc1cncc(Cl)c1
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InChI
InChI=1S/C21H16Cl2F3N3O4S/c1-2-28-20(30)16-9-14(4-5-18(16)33-15-8-13(22)10-27-11-15)29-34(31,32)19-6-3-12(7-17(19)23)21(24,25)26/h3-11,29H,2H2,1H3,(H,28,30)
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InChIKey
HKPZGTVJXKCQLL-UHFFFAOYSA-N
Physicochemical Property
logP
5.75
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
97.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 71525045
SID: 163518149
ChEMBL ID
CHEMBL2331787
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 30 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 50 nM