| General Property |
| Molceule ID (DB) | EGIN0002311 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6o compound |
| IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-{4-[(dimethylamino)methyl]phenyl}-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
| Formula | C20H18ClFN6S |
| Mass | 428.914 |
| Exact Mass | 428.0986212 |
| Composition | C (56.01%), H (4.23%), Cl (8.27%), F (4.43%), N (19.59%), S (7.48%) |
| Atom Count | 47 |
| PI | 10.64 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)CN(C)C |
| InChI | 1S/C20H18ClFN6S/c1-28(2)10-12-3-5-13(6-4-12)26-20-27-19-17(29-20)18(23-11-24-19)25-14-7-8-16(22)15(2
1)9-14/h3-9,11H,10H2,1-2H3,(H2,23,24,25,26,27) |
| InChIKey | LURCBUMOAWQHLM-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 |
16037083
|
| Drug Bank Link | - |
| ChemSpider Link | 13165676 |
| ChEMBL Link | CHEMBL513208 |
