General Information of the Compound
| Compound ID |
CP0482586
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[5-[methylsulfonyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-thiazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16N4O5S3
|
||||||||||||||||||
| Molecular Weight |
500.583
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)C(c1nnc(CC2SC(=O)NC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16N4O5S3/c1-33(28,29)17(19-25-24-16(30-19)10-15-18(26)23-21(27)32-15)20-22-13-8-7-12(9-14(13)31-20)11-5-3-2-4-6-11/h2-9,15,17H,10H2,1H3,(H,23,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FOURCEVMOOIJLT-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT01303, Endothelial lipase
Protein ID: PT02459, Hepatic triacylglycerol lipase