General Information of the Compound
Compound ID
CP0734263
Compound Name
5-(4-(2-(1-phenylethylideneaminooxy)ethoxy)benzyl)thiazolidine-2,4-dione
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Structure
Formula
C20H20N2O4S
Molecular Weight
384.457
Canonical SMILES
C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1
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InChI
InChI=1S/C20H20N2O4S/c1-14(16-5-3-2-4-6-16)22-26-12-11-25-17-9-7-15(8-10-17)13-18-19(23)21-20(24)27-18/h2-10,18H,11-13H2,1H3,(H,21,23,24)/b22-14+
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InChIKey
RGTIOWVYHQFURD-HYARGMPZSA-N
Physicochemical Property
logP
3.4003
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
76.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 21834048
ChEMBL ID
CHEMBL338390
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
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 1700 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1700 nM