General Information of the Compound
Compound ID
CP0461713
Compound Name
4-bromo-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-3-methylbenzenesulfonamide
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Structure
Formula
C22H15BrCl2N2O3S
Molecular Weight
538.25
Canonical SMILES
Cc1cc(ccc1Br)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
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InChI
InChI=1S/C22H15BrCl2N2O3S/c1-13-8-17(6-7-18(13)23)31(28,29)27-15-10-19(24)22(20(25)11-15)30-16-9-14-4-2-3-5-21(14)26-12-16/h2-12,27H,1H3
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InChIKey
GBJDFEHJNKBPBF-UHFFFAOYSA-N
Physicochemical Property
logP
7.20562
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 137640656
ChEMBL ID
CHEMBL4073314
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 = 600 nM
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