| General Property |
| Molceule ID (DB) | EGIN0001197 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]-7-[3-(morpholin-4-yl)propoxy]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C24H25ClFN5O3 |
| Mass | 485.938 |
| Exact Mass | 485.1629956 |
| Composition | C (59.32%), H (5.19%), Cl (7.3%), F (3.91%), N (14.41%), O (9.88%) |
| Atom Count | 59 |
| PI | 9.16 |
| Smiles | c12nc(c(cc1ncnc2Cc1cc(c(cc1)F)Cl)OCCCN1CCOCC1)NC(=O)C=C |
| InChI | 1S/C24H25ClFN5O3/c1-2-22(32)29-24-21(34-9-3-6-31-7-10-33-11-8-31)14-20-23(30-24)19(27-15-28-20)13-16
-4-5-18(26)17(25)12-16/h2,4-5,12,14-15H,1,3,6-11,13H2,(H,29,30,32) |
| InChIKey | QTECWEWNSUDGNT-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 |
44564023
|
| Drug Bank Link | - |
| ChemSpider Link | 23334585 |
| ChEMBL Link | CHEMBL489897 |
