| General Property |
| Molceule ID (DB) | EGIN0000655 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | 8-N-(3-bromophenyl)-2-N-methyl-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
| Formula | C13H11BrN6 |
| Mass | 331.171 |
| Exact Mass | 330.022857 |
| Composition | C (47.15%), H (3.35%), Br (24.13%), N (25.38%) |
| Atom Count | 31 |
| PI | 9.05 |
| Smiles | c12c(cnc(n1)NC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C13H11BrN6/c1-15-13-16-6-10-11(20-13)12(18-7-17-10)19-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,15,16,20)(H,1
7,18,19) |
| InChIKey | SINHNCOFBIYLPM-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 |
5328336
|
| Drug Bank Link | - |
| ChemSpider Link | 4485501 |
| ChEMBL Link | CHEMBL299622 |
