| General Property |
| Molceule ID (DB) | EGIN0002302 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6f compound |
| IUPAC Name | 4-({7-[(3-methylphenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}amino)benzene-1-sulfonamide |
| Formula | C18H16N6O2S2 |
| Mass | 412.489 |
| Exact Mass | 412.0776152 |
| Composition | C (52.41%), H (3.91%), N (20.37%), O (7.76%), S (15.55%) |
| Atom Count | 44 |
| PI | 7.05 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(ccc1)C)Nc1ccc(cc1)S(=O)(=O)N |
| InChI | 1S/C18H16N6O2S2/c1-11-3-2-4-13(9-11)22-16-15-17(21-10-20-16)24-18(27-15)23-12-5-7-14(8-6-12)28(19,25
)26/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24) |
| InChIKey | DKCJHJKLYAZBHE-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 | 19286381 |
| 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 |
44592213
|
| Drug Bank Link | - |
| ChemSpider Link | 24715923 |
| ChEMBL Link | CHEMBL513362 |
