| General Property |
| Molceule ID (DB) | EGIN0000312 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 38 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-5-(piperidin-1-yl)pent-2-ynamide |
| Formula | C23H22ClFN6O |
| Mass | 452.912 |
| Exact Mass | 452.1527653 |
| Composition | C (60.99%), H (4.9%), Cl (7.83%), F (4.19%), N (18.56%), O (3.53%) |
| Atom Count | 54 |
| PI | 9.78 |
| Smiles | N1(CCCCC1)CCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C23H22ClFN6O/c24-18-12-16(7-8-19(18)25)29-23-17-13-21(26-14-20(17)27-15-28-23)30-22(32)6-2-5-11-3
1-9-3-1-4-10-31/h7-8,12-15H,1,3-5,9-11H2,(H,26,30,32)(H,27,28,29) |
| InChIKey | FKXXCQSSSCJHOZ-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 |
11604864
|
| Drug Bank Link | - |
| ChemSpider Link | 9779620 |
| ChEMBL Link | CHEMBL205059 |
