| General Property |
| Molceule ID (DB) | EGIN0004730 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 19 |
| IUPAC Name | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-3-(dimethylamino)propanamide |
| Formula | C29H29ClN6O3 |
| Mass | 545.032 |
| Exact Mass | 544.1989665 |
| Composition | C (63.91%), H (5.36%), Cl (6.5%), N (15.42%), O (8.81%) |
| Atom Count | 68 |
| PI | 10.7 |
| Smiles | c1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)OCc1ccccn1)OCC)NC(=O)CCN(C)C |
| InChI | 1S/C29H29ClN6O3/c1-4-38-27-15-24-22(14-25(27)35-28(37)10-12-36(2)3)29(19(16-31)17-33-24)34-20-8-9-26
(23(30)13-20)39-18-21-7-5-6-11-32-21/h5-9,11,13-15,17H,4,10,12,18H2,1-3H3,(H,33,34)(H,35,37) |
| InChIKey | FVHRPBPPQDUXSJ-UHFFFAOYSA-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 | 22280453 |
| 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 |
46831432
|
| Drug Bank Link | - |
| ChemSpider Link | 28506215 |
| ChEMBL Link | - |
