| General Property |
| Molceule ID (DB) | EGIN0000919 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 30 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(dimethylamino)propyl]-N''-methylbut-2-enediamide |
| Formula | C23H26BrN7O2 |
| Mass | 512.402 |
| Exact Mass | 511.1331358 |
| Composition | C (53.91%), H (5.11%), Br (15.59%), N (19.13%), O (6.24%) |
| Atom Count | 59 |
| PI | 12.02 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)N(C(=O)/C=C/C(=O)NCCCN(C)C)C |
| InChI | 1S/C23H26BrN7O2/c1-30(2)11-5-10-25-21(32)8-9-22(33)31(3)20-13-18-19(14-26-20)27-15-28-23(18)29-17-7-
4-6-16(24)12-17/h4,6-9,12-15H,5,10-11H2,1-3H3,(H,25,32)(H,27,28,29)/b9-8+ |
| InChIKey | NXHJGHKRQJSQMH-CMDGGOBGSA-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 |
5329091
|
| Drug Bank Link | - |
| ChemSpider Link | 4486253 |
| ChEMBL Link | CHEMBL136102 |
