| General Property |
| Molceule ID (DB) | EGIN0001193 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]-7-[(1E)-4-(morpholin-4-yl)but-1-en-1-yl]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C25H25ClFN5O2 |
| Mass | 481.95 |
| Exact Mass | 481.168081 |
| Composition | C (62.3%), H (5.23%), Cl (7.36%), F (3.94%), N (14.53%), O (6.64%) |
| Atom Count | 59 |
| PI | 9.67 |
| Smiles | c12nc(c(cc1ncnc2Cc1cc(c(cc1)F)Cl)/C=C/CCN1CCOCC1)NC(=O)C=C |
| InChI | 1S/C25H25ClFN5O2/c1-2-23(33)30-25-18(5-3-4-8-32-9-11-34-12-10-32)15-22-24(31-25)21(28-16-29-22)14-17
-6-7-20(27)19(26)13-17/h2-3,5-7,13,15-16H,1,4,8-12,14H2,(H,30,31,33)/b5-3+ |
| InChIKey | OHGZNBMOOVLHFR-HWKANZROSA-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 |
44564527
|
| Drug Bank Link | - |
| ChemSpider Link | 23335380 |
| ChEMBL Link | CHEMBL490496 |
