| General Property |
| Molceule ID (DB) | EGIN0002950 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 3c |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-1,3-benzothiazole-4,6-diol |
| Formula | C13H9NO4S |
| Mass | 275.28 |
| Exact Mass | 275.0252285 |
| Composition | C (56.72%), H (3.3%), N (5.09%), O (23.25%), S (11.65%) |
| Atom Count | 28 |
| PI | 4.55 |
| Smiles | n1c(sc2c1c(cc(c2)O)O)c1cc(c(cc1)O)O |
| InChI | 1S/C13H9NO4S/c15-7-4-10(18)12-11(5-7)19-13(14-12)6-1-2-8(16)9(17)3-6/h1-5,15-18H |
| InChIKey | XWVVZTQPCQUBSZ-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 8201603 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23141078 |
| ChEMBL Link | CHEMBL48085 |
