| General Property |
| Molceule ID (DB) | EGIN0003319 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25a compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-phenoxyphenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C30H28ClN5O3 |
| Mass | 542.028 |
| Exact Mass | 541.1880675 |
| Composition | C (66.48%), H (5.21%), Cl (6.54%), N (12.92%), O (8.86%) |
| Atom Count | 67 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=CCN(C)C)OCC)Nc1cc(c(Oc2ccccc2)cc1)Cl |
| InChI | 1S/C30H28ClN5O3/c1-4-38-28-17-25-23(16-26(28)35-29(37)11-8-14-36(2)3)30(20(18-32)19-33-25)34-21-12-1
3-27(24(31)15-21)39-22-9-6-5-7-10-22/h5-13,15-17,19H,4,14H2,1-3H3,(H,33,34)(H,35,37)/b11-8+ |
| InChIKey | UASPTJWQFPYJIQ-DHZHZOJOSA-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 |
11307255
|
| Drug Bank Link | - |
| ChemSpider Link | 9482231 |
| ChEMBL Link | CHEMBL180018 |
