| General Property |
| Molceule ID (DB) | EGIN0000915 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(dimethylamino)propyl]but-2-enediamide |
| Formula | C22H24BrN7O2 |
| Mass | 498.376 |
| Exact Mass | 497.1174857 |
| Composition | C (53.02%), H (4.85%), Br (16.03%), N (19.67%), O (6.42%) |
| Atom Count | 56 |
| PI | 10.71 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C(=O)NCCCN(C)C |
| InChI | 1S/C22H24BrN7O2/c1-30(2)10-4-9-24-20(31)7-8-21(32)29-19-12-17-18(13-25-19)26-14-27-22(17)28-16-6-3-5
-15(23)11-16/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,24,31)(H,25,29,32)(H,26,27,28)/b8-7+ |
| InChIKey | IDQAZRHOHYFAOQ-BQYQJAHWSA-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 | 11462982 |
| 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 |
5329087
|
| Drug Bank Link | - |
| ChemSpider Link | 4486249 |
| ChEMBL Link | CHEMBL334801 |
