| General Property |
| Molceule ID (DB) | EGIN0000314 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 40 compound |
| IUPAC Name | N-{4-[(3-bromo-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-5-(4-methylpiperazin-1-yl)pent-2-ynamide |
| Formula | C23H23BrFN7O |
| Mass | 512.377 |
| Exact Mass | 511.1131492 |
| Composition | C (53.91%), H (4.52%), Br (15.59%), F (3.71%), N (19.14%), O (3.12%) |
| Atom Count | 56 |
| PI | 9.72 |
| Smiles | N1(CCN(CC1)C)CCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Br)F |
| InChI | 1S/C23H23BrFN7O/c1-31-8-10-32(11-9-31)7-3-2-4-22(33)30-21-13-17-20(14-26-21)27-15-28-23(17)29-16-5-6
-19(25)18(24)12-16/h5-6,12-15H,3,7-11H2,1H3,(H,26,30,33)(H,27,28,29) |
| InChIKey | PXBVPDIMCOILPS-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 | 16480284 |
| 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 |
11613187
|
| Drug Bank Link | - |
| ChemSpider Link | 9787941 |
| ChEMBL Link | CHEMBL437890 |
