| General Property |
| Molceule ID (DB) | EGIN0000657 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5e compound |
| IUPAC Name | N-(3-bromophenyl)-6-methoxy-[1,3]diazino[5,4-d]pyrimidin-4-amine |
| Formula | C13H10BrN5O |
| Mass | 332.155 |
| Exact Mass | 331.0068726 |
| Composition | C (47.01%), H (3.03%), Br (24.06%), N (21.08%), O (4.82%) |
| Atom Count | 30 |
| PI | 8.22 |
| Smiles | c12c(cnc(n1)OC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C13H10BrN5O/c1-20-13-15-6-10-11(19-13)12(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18) |
| InChIKey | XFDJSPMIYIIGLF-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 | 9191958 |
| 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 |
5328338
|
| Drug Bank Link | - |
| ChemSpider Link | 4485503 |
| ChEMBL Link | CHEMBL51854 |
