| General Property |
| Molceule ID (DB) | EGIN0000303 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 29 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}but-2-ynamide |
| Formula | C17H11ClFN5O |
| Mass | 355.754 |
| Exact Mass | 355.0636159 |
| Composition | C (57.39%), H (3.12%), Cl (9.97%), F (5.34%), N (19.69%), O (4.5%) |
| Atom Count | 36 |
| PI | 7.99 |
| Smiles | c12c(cnc(c1)NC(=O)C#CC)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H
3,(H,20,24,25)(H,21,22,23) |
| InChIKey | DLPSDPPZXRJQOY-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 |
11566580
|
| Drug Bank Link | - |
| ChemSpider Link | 9741351 |
| ChEMBL Link | CHEMBL203644 |
