| General Property |
| Molceule ID (DB) | EGIN0000911 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(morpholin-4-yl)propyl]prop-2-enamide |
| Formula | C23H25BrN6O2 |
| Mass | 497.388 |
| Exact Mass | 496.1222367 |
| Composition | C (55.54%), H (5.07%), Br (16.06%), N (16.9%), O (6.43%) |
| Atom Count | 57 |
| PI | 10.81 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)N(C(=O)C=C)CCCN1CCOCC1 |
| InChI | 1S/C23H25BrN6O2/c1-2-22(31)30(8-4-7-29-9-11-32-12-10-29)21-14-19-20(15-25-21)26-16-27-23(19)28-18-6-
3-5-17(24)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,26,27,28) |
| InChIKey | OCBRGIXVRJXGMM-UHFFFAOYSA-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 |
5329083
|
| Drug Bank Link | - |
| ChemSpider Link | 4486245 |
| ChEMBL Link | CHEMBL137082 |
