| General Property |
| Molceule ID (DB) | EGIN0000660 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5h compound |
| IUPAC Name | 8-N-(3-bromophenyl)-2-N-[3-(morpholin-4-yl)propyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
| Formula | C19H22BrN7O |
| Mass | 444.328 |
| Exact Mass | 443.106921 |
| Composition | C (51.36%), H (4.99%), Br (17.98%), N (22.07%), O (3.6%) |
| Atom Count | 50 |
| PI | 10.22 |
| Smiles | c12c(cnc(n1)NCCCN1CCOCC1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C19H22BrN7O/c20-14-3-1-4-15(11-14)25-18-17-16(23-13-24-18)12-22-19(26-17)21-5-2-6-27-7-9-28-10-8-
27/h1,3-4,11-13H,2,5-10H2,(H,21,22,26)(H,23,24,25) |
| InChIKey | AKSMEOTWWFYYSQ-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 |
5328341
|
| Drug Bank Link | - |
| ChemSpider Link | 4485506 |
| ChEMBL Link | CHEMBL417420 |
