| General Property |
| Molceule ID (DB) | EGIN0000653 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | N-(3-bromophenyl)-6-chloro-[1,3]diazino[5,4-d]pyrimidin-4-amine |
| Formula | C12H7BrClN5 |
| Mass | 336.574 |
| Exact Mass | 334.9573356 |
| Composition | C (42.82%), H (2.1%), Br (23.74%), Cl (10.53%), N (20.81%) |
| Atom Count | 26 |
| PI | 7.29 |
| Smiles | c12c(cnc(n1)Cl)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C12H7BrClN5/c13-7-2-1-3-8(4-7)18-11-10-9(16-6-17-11)5-15-12(14)19-10/h1-6H,(H,16,17,18) |
| InChIKey | KIJZNASQHHBSGG-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 |
5328334
|
| Drug Bank Link | - |
| ChemSpider Link | 4485499 |
| ChEMBL Link | CHEMBL53311 |
