| General Property |
| Molceule ID (DB) | EGIN0002301 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6e compound |
| IUPAC Name | 4-({7-[(3-chloro-4-fluorophenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}amino)benzene-1-sulfonamide |
| Formula | C17H12ClFN6O2S2 |
| Mass | 450.898 |
| Exact Mass | 450.013571 |
| Composition | C (45.28%), H (2.68%), Cl (7.86%), F (4.21%), N (18.64%), O (7.1%), S (14.22%) |
| Atom Count | 41 |
| PI | 7.05 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)S(=O)(=O)N |
| InChI | 1S/C17H12ClFN6O2S2/c18-12-7-10(3-6-13(12)19)23-15-14-16(22-8-21-15)25-17(28-14)24-9-1-4-11(5-2-9)29(
20,26)27/h1-8H,(H2,20,26,27)(H2,21,22,23,24,25) |
| InChIKey | QMAYPCNOXVCKRW-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 |
44592212
|
| Drug Bank Link | - |
| ChemSpider Link | 24694399 |
| ChEMBL Link | CHEMBL469355 |
