| General Property |
| Molceule ID (DB) | EGIN0000651 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 4a compound |
| IUPAC Name | 6-chloro-N-phenyl-[1,3]diazino[5,4-d]pyrimidin-4-amine |
| Formula | C12H8ClN5 |
| Mass | 257.678 |
| Exact Mass | 257.046823 |
| Composition | C (55.93%), H (3.13%), Cl (13.76%), N (27.18%) |
| Atom Count | 26 |
| PI | 7.47 |
| Smiles | c12c(cnc(n1)Cl)ncnc2Nc1ccccc1 |
| InChI | 1S/C12H8ClN5/c13-12-14-6-9-10(18-12)11(16-7-15-9)17-8-4-2-1-3-5-8/h1-7H,(H,15,16,17) |
| InChIKey | MBZZMOBHTIEAEW-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 |
5328332
|
| Drug Bank Link | - |
| ChemSpider Link | 4485497 |
| ChEMBL Link | CHEMBL50027 |
