| General Property |
| Molceule ID (DB) | EGIN0000909 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | ethyl (2E)-3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}carbamoyl)prop-2-enoate |
| Formula | C19H16BrN5O3 |
| Mass | 442.266 |
| Exact Mass | 441.0436521 |
| Composition | C (51.6%), H (3.65%), Br (18.07%), N (15.84%), O (10.85%) |
| Atom Count | 44 |
| PI | 8.41 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C(=O)OCC |
| InChI | 1S/C19H16BrN5O3/c1-2-28-18(27)7-6-17(26)25-16-9-14-15(10-21-16)22-11-23-19(14)24-13-5-3-4-12(20)8-13
/h3-11H,2H2,1H3,(H,21,25,26)(H,22,23,24)/b7-6+ |
| InChIKey | GSAMPEADMMYOLW-VOTSOKGWSA-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 |
5329081
|
| Drug Bank Link | - |
| ChemSpider Link | 4486243 |
| ChEMBL Link | CHEMBL422292 |
