General Information of the Compound
| Compound ID |
CP0809123
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-phenyl}-thiazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N3O4S
|
||||||||||||||||||
| Molecular Weight |
383.429
|
||||||||||||||||||
| Canonical SMILES |
CN(CCOc1ccc(C2SC(=O)NC2=O)cc1)c1nc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N3O4S/c1-22(18-20-14-4-2-3-5-15(14)26-18)10-11-25-13-8-6-12(7-9-13)16-17(23)21-19(24)27-16/h2-9,16H,10-11H2,1H3,(H,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTANXWFGXPQIQT-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