| General Property |
| Molceule ID (DB) | EGIN0000304 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 30 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}hex-2-ynamide |
| Formula | C19H15ClFN5O |
| Mass | 383.807 |
| Exact Mass | 383.094916 |
| Composition | C (59.46%), H (3.94%), Cl (9.24%), F (4.95%), N (18.25%), O (4.17%) |
| Atom Count | 42 |
| PI | 7.99 |
| Smiles | c12c(cnc(c1)NC(=O)C#CCCC)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C19H15ClFN5O/c1-2-3-4-5-18(27)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-6-7-15(21)14(20)8-12/h6
-11H,2-3H2,1H3,(H,22,26,27)(H,23,24,25) |
| InChIKey | ISEHGRGNSOYPTL-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 |
11632391
|
| Drug Bank Link | - |
| ChemSpider Link | 9807136 |
| ChEMBL Link | CHEMBL203645 |
