| General Property |
| Molceule ID (DB) | EGIN0003363 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 37 compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(pyridin-3-ylmethyl)amino]phenyl}amino)-3-cyano-7-methoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C29H28ClN7O2 |
| Mass | 542.031 |
| Exact Mass | 541.1993009 |
| Composition | C (64.26%), H (5.21%), Cl (6.54%), N (18.09%), O (5.9%) |
| Atom Count | 67 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(NCc2cnccc2)cc1)Cl |
| InChI | 1S/C29H28ClN7O2/c1-37(2)11-5-7-28(38)36-26-13-22-25(14-27(26)39-3)34-18-20(15-31)29(22)35-21-8-9-24(
23(30)12-21)33-17-19-6-4-10-32-16-19/h4-10,12-14,16,18,33H,11,17H2,1-3H3,(H,34,35)(H,36,38)/b7-5+ |
| InChIKey | FRQFIGQZHAECJO-FNORWQNLSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23244485 |
| ChEMBL Link | CHEMBL179633 |
