General Information of the Compound
Compound ID
CP0177660
Compound Name
N-(3-acetyl-4-quinolin-3-yloxyphenyl)-2,4-dichlorobenzenesulfonamide
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Structure
Formula
C23H16Cl2N2O4S
Molecular Weight
487.364
Canonical SMILES
CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cnc2ccccc2c1
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InChI
InChI=1S/C23H16Cl2N2O4S/c1-14(28)19-12-17(27-32(29,30)23-9-6-16(24)11-20(23)25)7-8-22(19)31-18-10-15-4-2-3-5-21(15)26-13-18/h2-13,27H,1H3
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InChIKey
QHTHSQXFWCRPEY-UHFFFAOYSA-N
Physicochemical Property
logP
6.3373
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
85.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 71525223
SID: 163518348
ChEMBL ID
CHEMBL2338475
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 = 60 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 30 nM