| General Property |
| Molceule ID (DB) | EGIN0003332 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8o compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C29H28ClN5O3S |
| Mass | 562.082 |
| Exact Mass | 561.1601382 |
| Composition | C (61.97%), H (5.02%), Cl (6.31%), N (12.46%), O (8.54%), S (5.7%) |
| Atom Count | 67 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2sccc2)cc1)Cl |
| InChI | 1S/C29H28ClN5O3S/c1-4-37-27-15-24-22(14-25(27)34-28(36)8-5-11-35(2)3)29(19(16-31)17-32-24)33-20-9-10
-26(23(30)13-20)38-18-21-7-6-12-39-21/h5-10,12-15,17H,4,11,18H2,1-3H3,(H,32,33)(H,34,36)/b8-5+ |
| InChIKey | VDXVVMLTFUWAMZ-VMPITWQZSA-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 |
11192261
|
| Drug Bank Link | - |
| ChemSpider Link | 9367338 |
| ChEMBL Link | CHEMBL426051 |
