| General Property |
| Molceule ID (DB) | EGIN0000916 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(diethylamino)propyl]but-2-enediamide |
| Formula | C24H28BrN7O2 |
| Mass | 526.429 |
| Exact Mass | 525.1487858 |
| Composition | C (54.76%), H (5.36%), Br (15.18%), N (18.62%), O (6.08%) |
| Atom Count | 62 |
| PI | 10.98 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C(=O)NCCCN(CC)CC |
| InChI | 1S/C24H28BrN7O2/c1-3-32(4-2)12-6-11-26-22(33)9-10-23(34)31-21-14-19-20(15-27-21)28-16-29-24(19)30-18
-8-5-7-17(25)13-18/h5,7-10,13-16H,3-4,6,11-12H2,1-2H3,(H,26,33)(H,27,31,34)(H,28,29,30)/b10-9+ |
| InChIKey | TYPAATJNKNDNOD-MDZDMXLPSA-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 |
5329088
|
| Drug Bank Link | - |
| ChemSpider Link | 4486250 |
| ChEMBL Link | CHEMBL434827 |
