| General Property |
| Molceule ID (DB) | EGIN0003327 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8j compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)phenyl]amino}-3-cyano-7-methoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C30H29N5O3 |
| Mass | 507.583 |
| Exact Mass | 507.2270398 |
| Composition | C (70.99%), H (5.76%), N (13.8%), O (9.46%) |
| Atom Count | 67 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1ccc(OCc2ccccc2)cc1 |
| InChI | 1S/C30H29N5O3/c1-35(2)15-7-10-29(36)34-27-16-25-26(17-28(27)37-3)32-19-22(18-31)30(25)33-23-11-13-24
(14-12-23)38-20-21-8-5-4-6-9-21/h4-14,16-17,19H,15,20H2,1-3H3,(H,32,33)(H,34,36)/b10-7+ |
| InChIKey | VZMNZEALGODQPC-JXMROGBWSA-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 |
11237508
|
| Drug Bank Link | - |
| ChemSpider Link | 9412553 |
| ChEMBL Link | CHEMBL424959 |
