| General Property |
| Molceule ID (DB) | EGIN0003324 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 21c compound |
| IUPAC Name | (2E)-N-(4-{[1-(benzenesulfonyl)-1H-indol-5-yl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C32H30N6O4S |
| Mass | 594.683 |
| Exact Mass | 594.2049242 |
| Composition | C (64.63%), H (5.08%), N (14.13%), O (10.76%), S (5.39%) |
| Atom Count | 73 |
| PI | 10.67 |
| Smiles | S(=O)(=O)(n1c2c(cc1)cc(Nc1c3c(ncc1C#N)cc(c(c3)NC(=O)/C=C/CN(C)C)OCC)cc2)c1ccccc1 |
| InChI | 1S/C32H30N6O4S/c1-4-42-30-19-27-26(18-28(30)36-31(39)11-8-15-37(2)3)32(23(20-33)21-34-27)35-24-12-13
-29-22(17-24)14-16-38(29)43(40,41)25-9-6-5-7-10-25/h5-14,16-19,21H,4,15H2,1-3H3,(H,34,35)(H,36,39)/b
11-8+ |
| InChIKey | PCAULTNLFAMHON-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 |
11307866
|
| Drug Bank Link | - |
| ChemSpider Link | 9482841 |
| ChEMBL Link | CHEMBL179164 |
