General Information of the Compound
Compound ID
CP0284391
Compound Name
5-[(4-tert-butylphenyl)sulfonylamino]-2-(5-chloropyridin-3-yl)oxy-N-ethylbenzamide
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Structure
Formula
C24H26ClN3O4S
Molecular Weight
488.009
Canonical SMILES
CCNC(=O)c1cc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc1Oc1cncc(Cl)c1
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InChI
InChI=1S/C24H26ClN3O4S/c1-5-27-23(29)21-13-18(8-11-22(21)32-19-12-17(25)14-26-15-19)28-33(30,31)20-9-6-16(7-10-20)24(2,3)4/h6-15,28H,5H2,1-4H3,(H,27,29)
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InChIKey
XLVAILWENPLNQX-UHFFFAOYSA-N
Physicochemical Property
logP
5.3753
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
97.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 59066713
SID: 163518195
ChEMBL ID
CHEMBL2331779
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 > 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM