| General Property |
| Molceule ID (DB) | EGIN0000228 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C19H17ClFN5O3 |
| Mass | 417.821 |
| Exact Mass | 417.1003953 |
| Composition | C (54.62%), H (4.1%), Cl (8.49%), F (4.55%), N (16.76%), O (11.49%) |
| Atom Count | 46 |
| PI | 7.96 |
| Smiles | O=C(Nc1nc2c(cc1OCCOC)ncnc2Nc1ccc(c(c1)Cl)F)C=C |
| InChI | 1S/C19H17ClFN5O3/c1-3-16(27)25-18-15(29-7-6-28-2)9-14-17(26-18)19(23-10-22-14)24-11-4-5-13(21)12(20)
8-11/h3-5,8-10H,1,6-7H2,2H3,(H,22,23,24)(H,25,26,27) |
| InChIKey | ITJFSLJZVPCUFT-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 | 10753475 |
| 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 |
10549915
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL31570 |
