| General Property |
| Molceule ID (DB) | EGIN0003348 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25l compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(pentyloxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C29H34ClN5O3 |
| Mass | 536.065 |
| Exact Mass | 535.2350177 |
| Composition | C (64.98%), H (6.39%), Cl (6.61%), N (13.06%), O (8.95%) |
| Atom Count | 72 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(cc1)OCCCCC)Cl |
| InChI | 1S/C29H34ClN5O3/c1-5-7-8-14-38-26-12-11-21(15-23(26)30)33-29-20(18-31)19-32-24-17-27(37-6-2)25(16-22
(24)29)34-28(36)10-9-13-35(3)4/h9-12,15-17,19H,5-8,13-14H2,1-4H3,(H,32,33)(H,34,36)/b10-9+ |
| InChIKey | GDOJCYYTUJELBC-MDZDMXLPSA-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 |
11376079
|
| Drug Bank Link | - |
| ChemSpider Link | 9550996 |
| ChEMBL Link | CHEMBL175726 |
