| General Property |
| Molceule ID (DB) | EGIN0002314 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6r compound |
| IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
| Formula | C22H20ClFN6OS |
| Mass | 470.95 |
| Exact Mass | 470.1091859 |
| Composition | C (56.11%), H (4.28%), Cl (7.53%), F (4.03%), N (17.84%), O (3.4%), S (6.81%) |
| Atom Count | 52 |
| PI | 9.65 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)CN1CCOCC1 |
| InChI | 1S/C22H20ClFN6OS/c23-17-11-16(5-6-18(17)24)27-20-19-21(26-13-25-20)29-22(32-19)28-15-3-1-14(2-4-15)1
2-30-7-9-31-10-8-30/h1-6,11,13H,7-10,12H2,(H2,25,26,27,28,29) |
| InChIKey | ZUSZRGNCVDXEAU-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 |
16037086
|
| Drug Bank Link | - |
| ChemSpider Link | 13165679 |
| ChEMBL Link | CHEMBL511637 |
