| General Property |
| Molceule ID (DB) | EGIN0000903 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}penta-2,4-dienamide |
| Formula | C18H14BrN5O |
| Mass | 396.241 |
| Exact Mass | 395.0381727 |
| Composition | C (54.56%), H (3.56%), Br (20.17%), N (17.67%), O (4.04%) |
| Atom Count | 39 |
| PI | 8.43 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C=C |
| InChI | 1S/C18H14BrN5O/c1-2-3-7-17(25)24-16-9-14-15(10-20-16)21-11-22-18(14)23-13-6-4-5-12(19)8-13/h2-11H,1H
2,(H,20,24,25)(H,21,22,23)/b7-3+ |
| InChIKey | UHUXAMBAPFKPGQ-XVNBXDOJSA-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 |
5329075
|
| Drug Bank Link | - |
| ChemSpider Link | 4486237 |
| ChEMBL Link | CHEMBL139044 |
