General Information of the Compound
Compound ID
CP0486825
Compound Name
5-[[4-[(4-chlorophenyl)diazenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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Formula
C16H12ClN3O2S
Molecular Weight
345.811
Canonical SMILES
Clc1ccc(cc1)\N=N\c1ccc(CC2SC(=O)NC2=O)cc1
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InChI
InChI=1S/C16H12ClN3O2S/c17-11-3-7-13(8-4-11)20-19-12-5-1-10(2-6-12)9-14-15(21)18-16(22)23-14/h1-8,14H,9H2,(H,18,21,22)/b20-19+
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InChIKey
PFWSOEMDHXPDQV-FMQUCBEESA-N
Physicochemical Property
logP
4.6495
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
70.89
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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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ChEMBL ID
CHEMBL4745294
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 = 2900 nM
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