General Information of the Compound
Compound ID
CP0548477
Compound Name
N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)naphthalene-2-sulfonamide
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Structure
Formula
C25H16Cl2N2O3S
Molecular Weight
495.387
Canonical SMILES
Clc1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(Cl)c1Oc1cnc2ccccc2c1
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InChI
InChI=1S/C25H16Cl2N2O3S/c26-22-13-19(29-33(30,31)21-10-9-16-5-1-2-6-17(16)12-21)14-23(27)25(22)32-20-11-18-7-3-4-8-24(18)28-15-20/h1-15,29H
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InChIKey
UFBPXZDICOZREE-UHFFFAOYSA-N
Physicochemical Property
logP
7.2879
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 137659478
ChEMBL ID
CHEMBL4098241
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 4289 nM
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