General Information of the Compound
Compound ID
CP0109505
Compound Name
5-[[4-[[3-(2-methylphenyl)phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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Structure
Formula
C24H21NO3S
Molecular Weight
403.503
Canonical SMILES
Cc1ccccc1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1
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InChI
InChI=1S/C24H21NO3S/c1-16-5-2-3-8-21(16)19-7-4-6-18(13-19)15-28-20-11-9-17(10-12-20)14-22-23(26)25-24(27)29-22/h2-13,22H,14-15H2,1H3,(H,25,26,27)
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InChIKey
SRSDPVWBXKRHAZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.13512
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 127025488
ChEMBL ID
CHEMBL3759922
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 7730 nM
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