| General Property |
| Molceule ID (DB) | EGIN0000918 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 29 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(1H-imidazol-1-yl)propyl]but-2-enediamide |
| Formula | C23H21BrN8O2 |
| Mass | 521.369 |
| Exact Mass | 520.0970846 |
| Composition | C (52.98%), H (4.06%), Br (15.33%), N (21.49%), O (6.14%) |
| Atom Count | 55 |
| PI | 9.46 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C(=O)NCCCn1cncc1 |
| InChI | 1S/C23H21BrN8O2/c24-16-3-1-4-17(11-16)30-23-18-12-20(27-13-19(18)28-14-29-23)31-22(34)6-5-21(33)26-7
-2-9-32-10-8-25-15-32/h1,3-6,8,10-15H,2,7,9H2,(H,26,33)(H,27,31,34)(H,28,29,30)/b6-5+ |
| InChIKey | RCQQOUGGIYVAKT-AATRIKPKSA-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 |
5329090
|
| Drug Bank Link | - |
| ChemSpider Link | 4486252 |
| ChEMBL Link | CHEMBL342828 |
