| General Property |
| Molceule ID (DB) | EGIN0000905 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-3-phenylprop-2-enamide |
| Formula | C22H16BrN5O |
| Mass | 446.299 |
| Exact Mass | 445.0538228 |
| Composition | C (59.21%), H (3.61%), Br (17.9%), N (15.69%), O (3.58%) |
| Atom Count | 45 |
| PI | 8.43 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/c1ccccc1 |
| InChI | 1S/C22H16BrN5O/c23-16-7-4-8-17(11-16)27-22-18-12-20(24-13-19(18)25-14-26-22)28-21(29)10-9-15-5-2-1-3
-6-15/h1-14H,(H,24,28,29)(H,25,26,27)/b10-9+ |
| InChIKey | LECUYHDYEGPFIS-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 |
5329077
|
| Drug Bank Link | - |
| ChemSpider Link | 4486239 |
| ChEMBL Link | CHEMBL434828 |
