| General Property |
| Molceule ID (DB) | EGIN0000659 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5g compound |
| IUPAC Name | 8-N-(3-bromophenyl)-2-N-[2-(morpholin-4-yl)ethyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
| Formula | C18H20BrN7O |
| Mass | 430.302 |
| Exact Mass | 429.0912709 |
| Composition | C (50.24%), H (4.68%), Br (18.57%), N (22.79%), O (3.72%) |
| Atom Count | 47 |
| PI | 9.95 |
| Smiles | c12c(cnc(n1)NCCN1CCOCC1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C18H20BrN7O/c19-13-2-1-3-14(10-13)24-17-16-15(22-12-23-17)11-21-18(25-16)20-4-5-26-6-8-27-9-7-26/
h1-3,10-12H,4-9H2,(H,20,21,25)(H,22,23,24) |
| InChIKey | FBSRQIPWINDALQ-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 |
5328340
|
| Drug Bank Link | - |
| ChemSpider Link | 4485505 |
| ChEMBL Link | CHEMBL294475 |
