| General Property |
| Molceule ID (DB) | EGIN0000658 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5f compound |
| IUPAC Name | 8-N-(3-bromophenyl)-2-N-[2-(dimethylamino)ethyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
| Formula | C16H18BrN7 |
| Mass | 388.265 |
| Exact Mass | 387.0807063 |
| Composition | C (49.49%), H (4.67%), Br (20.58%), N (25.25%) |
| Atom Count | 42 |
| PI | 11.07 |
| Smiles | c12c(cnc(n1)NCCN(C)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C16H18BrN7/c1-24(2)7-6-18-16-19-9-13-14(23-16)15(21-10-20-13)22-12-5-3-4-11(17)8-12/h3-5,8-10H,6-
7H2,1-2H3,(H,18,19,23)(H,20,21,22) |
| InChIKey | BRXQCYKQKVTPNS-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 |
5328339
|
| Drug Bank Link | - |
| ChemSpider Link | 4485504 |
| ChEMBL Link | CHEMBL54067 |
