| General Property |
| Molceule ID (DB) | EGIN0003325 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7f compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C31H29ClFN5O3 |
| Mass | 574.045 |
| Exact Mass | 573.1942957 |
| Composition | C (64.86%), H (5.09%), Cl (6.18%), F (3.31%), N (12.2%), O (8.36%) |
| Atom Count | 70 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2cc(F)ccc2)cc1)Cl |
| InChI | 1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-1
1-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+ |
| InChIKey | NERXPXBELDBEPZ-RMKNXTFCSA-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 |
11238512
|
| Drug Bank Link | - |
| ChemSpider Link | 9413555 |
| ChEMBL Link | CHEMBL178654 |
