| General Property |
| Molceule ID (DB) | EGIN0004370 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | PF299804 |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide |
| Formula | C24H25ClFN5O2 |
| Mass | 469.939 |
| Exact Mass | 469.168081 |
| Composition | C (61.34%), H (5.36%), Cl (7.54%), F (4.04%), N (14.9%), O (6.81%) |
| Atom Count | 58 |
| PI | 10.52 |
| Smiles | C1CCCN(C1)C/C=CC(=O)Nc1cc2c(cc1OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-
11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ |
| InChIKey | LVXJQMNHJWSHET-AATRIKPKSA-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 | 21208802 |
| 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 |
11511120
|
| Drug Bank Link | - |
| ChemSpider Link | 9685914 |
| ChEMBL Link | - |
