| General Property |
| Molceule ID (DB) | EGIN0003345 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25i compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(3,5-difluorophenyl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C31H28ClF2N5O3 |
| Mass | 592.036 |
| Exact Mass | 591.1848739 |
| Composition | C (62.89%), H (4.77%), Cl (5.99%), F (6.42%), N (11.83%), O (8.11%) |
| 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(cc(c2)F)F)cc1)Cl |
| InChI | 1S/C31H28ClF2N5O3/c1-4-41-29-15-26-24(14-27(29)38-30(40)6-5-9-39(2)3)31(20(16-35)17-36-26)37-23-7-8-
28(25(32)13-23)42-18-19-10-21(33)12-22(34)11-19/h5-8,10-15,17H,4,9,18H2,1-3H3,(H,36,37)(H,38,40)/b6-
5+ |
| InChIKey | MZVYVYXQVKSACU-AATRIKPKSA-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 |
11786660
|
| Drug Bank Link | - |
| ChemSpider Link | 9961338 |
| ChEMBL Link | CHEMBL178290 |
