| General Property |
| Molceule ID (DB) | EGIN0003312 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8a compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(morpholin-4-yl)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C28H31ClN6O3 |
| Mass | 535.037 |
| Exact Mass | 534.2146166 |
| Composition | C (62.86%), H (5.84%), Cl (6.63%), N (15.71%), O (8.97%) |
| Atom Count | 69 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(N2CCOCC2)cc1)Cl |
| InChI | 1S/C28H31ClN6O3/c1-4-38-26-16-23-21(15-24(26)33-27(36)6-5-9-34(2)3)28(19(17-30)18-31-23)32-20-7-8-25
(22(29)14-20)35-10-12-37-13-11-35/h5-8,14-16,18H,4,9-13H2,1-3H3,(H,31,32)(H,33,36)/b6-5+ |
| InChIKey | YMGSXLGOBDZXQH-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 | 15715478 |
| 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 |
11307161
|
| Drug Bank Link | - |
| ChemSpider Link | 9482137 |
| ChEMBL Link | CHEMBL178922 |
