| General Property |
| Molceule ID (DB) | EGIN0000661 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 5i compound |
| IUPAC Name | 8-N-(3-bromophenyl)-2-N-{2-[(4S)-4H-imidazol-4-yl]ethyl}-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
| Formula | C17H15BrN8 |
| Mass | 411.259 |
| Exact Mass | 410.0603052 |
| Composition | C (49.65%), H (3.68%), Br (19.43%), N (27.25%) |
| Atom Count | 41 |
| PI | 9.22 |
| Smiles | c12c(cnc(n1)NCC[C@H]1C=NC=N1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C17H15BrN8/c18-11-2-1-3-12(6-11)25-16-15-14(23-10-24-16)8-21-17(26-15)20-5-4-13-7-19-9-22-13/h1-3
,6-10,13H,4-5H2,(H,20,21,26)(H,23,24,25)/t13-/m0/s1 |
| InChIKey | XMQXPIGXQZZTGT-ZDUSSCGKSA-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 |
5328342
|
| Drug Bank Link | - |
| ChemSpider Link | 4485507 21201041 |
| ChEMBL Link | CHEMBL53426 |
