| General Property |
| Molceule ID (DB) | EGIN0001198 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]-7-[3-(morpholin-4-yl)propoxy]pyrido[3,2-d]pyrimidin-6-yl}-N-methylprop-2-enamide |
| Formula | C25H27ClFN5O3 |
| Mass | 499.965 |
| Exact Mass | 499.1786457 |
| Composition | C (60.06%), H (5.44%), Cl (7.09%), F (3.8%), N (14.01%), O (9.6%) |
| Atom Count | 62 |
| PI | No isoelectric point. |
| Smiles | c12nc(c(cc1ncnc2Cc1cc(c(cc1)F)Cl)OCCCN1CCOCC1)N(C(=O)C=C)C |
| InChI | 1S/C25H27ClFN5O3/c1-3-23(33)31(2)25-22(35-10-4-7-32-8-11-34-12-9-32)15-21-24(30-25)20(28-16-29-21)14
-17-5-6-19(27)18(26)13-17/h3,5-6,13,15-16H,1,4,7-12,14H2,2H3 |
| InChIKey | VXEXAYDHCLMXFS-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 | 10956451 |
| 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 |
44564024
|
| Drug Bank Link | - |
| ChemSpider Link | 23334586 |
| ChEMBL Link | CHEMBL490093 |
