| General Property |
| Molceule ID (DB) | EGIN0003310 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7d compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]amino}-3-cyano-7-methoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C26H23ClN6O2S2 |
| Mass | 551.083 |
| Exact Mass | 550.1012431 |
| Composition | C (56.67%), H (4.21%), Cl (6.43%), N (15.25%), O (5.81%), S (11.64%) |
| Atom Count | 60 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(Sc2nccs2)cc1)Cl |
| InChI | 1S/C26H23ClN6O2S2/c1-33(2)9-4-5-24(34)32-21-12-18-20(13-22(21)35-3)30-15-16(14-28)25(18)31-17-6-7-23
(19(27)11-17)37-26-29-8-10-36-26/h4-8,10-13,15H,9H2,1-3H3,(H,30,31)(H,32,34)/b5-4+ |
| InChIKey | VAEBOYGSUMEZLQ-SNAWJCMRSA-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 |
11203663
|
| Drug Bank Link | - |
| ChemSpider Link | 9378731 |
| ChEMBL Link | CHEMBL179572 |
