| General Property |
| Molceule ID (DB) | EGIN0000901 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-3-chloroprop-2-enamide |
| Formula | C16H11BrClN5O |
| Mass | 404.648 |
| Exact Mass | 402.9835504 |
| Composition | C (47.49%), H (2.74%), Br (19.75%), Cl (8.76%), N (17.31%), O (3.95%) |
| Atom Count | 35 |
| PI | 8.4 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/Cl |
| InChI | 1S/C16H11BrClN5O/c17-10-2-1-3-11(6-10)22-16-12-7-14(23-15(24)4-5-18)19-8-13(12)20-9-21-16/h1-9H,(H,1
9,23,24)(H,20,21,22)/b5-4+ |
| InChIKey | MNRDWWUGMJRIIM-SNAWJCMRSA-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 |
18176234
|
| Drug Bank Link | - |
| ChemSpider Link | 13231139 |
| ChEMBL Link | CHEMBL344177 |
