| General Property |
| Molceule ID (DB) | EGIN0000662 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5j compound |
| IUPAC Name | 8-N-(3-bromophenyl)-2-N-[3-(1H-imidazol-1-yl)propyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
| Formula | C18H17BrN8 |
| Mass | 425.285 |
| Exact Mass | 424.0759552 |
| Composition | C (50.83%), H (4.03%), Br (18.79%), N (26.35%) |
| Atom Count | 44 |
| PI | 10.17 |
| Smiles | c12c(cnc(n1)NCCCn1cncc1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C18H17BrN8/c19-13-3-1-4-14(9-13)25-17-16-15(23-11-24-17)10-22-18(26-16)21-5-2-7-27-8-6-20-12-27/h
1,3-4,6,8-12H,2,5,7H2,(H,21,22,26)(H,23,24,25) |
| InChIKey | PHVFHKTZGHFXKK-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 |
5328343
|
| Drug Bank Link | - |
| ChemSpider Link | 4485508 |
| ChEMBL Link | CHEMBL51228 |
