| General Property |
| Molceule ID (DB) | EGIN0000897 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-2-methylprop-2-enamide |
| Formula | C17H14BrN5O |
| Mass | 384.23 |
| Exact Mass | 383.0381727 |
| Composition | C (53.14%), H (3.67%), Br (20.8%), N (18.23%), O (4.16%) |
| Atom Count | 38 |
| PI | 8.41 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)C(=C)C |
| InChI | 1S/C17H14BrN5O/c1-10(2)17(24)23-15-7-13-14(8-19-15)20-9-21-16(13)22-12-5-3-4-11(18)6-12/h3-9H,1H2,2H
3,(H,19,23,24)(H,20,21,22) |
| InChIKey | UGKRCKRGEISAKC-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 |
5329071
|
| Drug Bank Link | - |
| ChemSpider Link | 4486233 |
| ChEMBL Link | CHEMBL138363 |
