| General Property |
| Molceule ID (DB) | EGIN0003357 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25u compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(naphthalen-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C35H32ClN5O3 |
| Mass | 606.113 |
| Exact Mass | 605.2193676 |
| Composition | C (69.36%), H (5.32%), Cl (5.85%), N (11.55%), O (7.92%) |
| Atom Count | 76 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2cc3c(cc2)cccc3)cc1)Cl |
| InChI | 1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)10-7-15-41(2)3)35(26(20-37)21-38-30)39-27-13-1
4-32(29(36)17-27)44-22-23-11-12-24-8-5-6-9-25(24)16-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,38,39)(H,4
0,42)/b10-7+ |
| InChIKey | ULMZSUGIZVDJDK-JXMROGBWSA-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 |
11192753
|
| Drug Bank Link | - |
| ChemSpider Link | 9367828 |
| ChEMBL Link | CHEMBL178573 |
