| General Property |
| Molceule ID (DB) | EGIN0000654 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5b compound |
| IUPAC Name | 8-N-(3-bromophenyl)-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
| Formula | C12H9BrN6 |
| Mass | 317.144 |
| Exact Mass | 316.007207 |
| Composition | C (45.45%), H (2.86%), Br (25.19%), N (26.5%) |
| Atom Count | 28 |
| PI | 9.06 |
| Smiles | c12c(cnc(n1)N)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C12H9BrN6/c13-7-2-1-3-8(4-7)18-11-10-9(16-6-17-11)5-15-12(14)19-10/h1-6H,(H2,14,15,19)(H,16,17,18
) |
| InChIKey | SJVLDEFAHRZRJJ-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 |
5328335
|
| Drug Bank Link | - |
| ChemSpider Link | 4485500 |
| ChEMBL Link | CHEMBL53831 |
