General Information of the Compound
Compound ID
CP0548475
Compound Name
N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2,4,6-trimethylbenzenesulfonamide
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Structure
Formula
C24H20Cl2N2O3S
Molecular Weight
487.408
Canonical SMILES
Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
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InChI
InChI=1S/C24H20Cl2N2O3S/c1-14-8-15(2)24(16(3)9-14)32(29,30)28-18-11-20(25)23(21(26)12-18)31-19-10-17-6-4-5-7-22(17)27-13-19/h4-13,28H,1-3H3
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InChIKey
IBWGNBZJPNEUQF-UHFFFAOYSA-N
Physicochemical Property
logP
7.05996
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 137637447
ChEMBL ID
CHEMBL4059819
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 = 3314 nM
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