| General Property |
| Molceule ID (DB) | EGIN0003344 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25h compound |
| IUPAC Name | (2E)-N-[3-cyano-4-({3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C31H28Cl2FN5O3 |
| Mass | 608.49 |
| Exact Mass | 607.1553234 |
| Composition | C (61.19%), H (4.64%), Cl (11.65%), F (3.12%), N (11.51%), O (7.89%) |
| Atom Count | 70 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(c(c1)Cl)OCc1cc(F)ccc1)Cl |
| InChI | 1S/C31H28Cl2FN5O3/c1-4-41-28-15-26-23(14-27(28)38-29(40)9-6-10-39(2)3)30(20(16-35)17-36-26)37-22-12-
24(32)31(25(33)13-22)42-18-19-7-5-8-21(34)11-19/h5-9,11-15,17H,4,10,18H2,1-3H3,(H,36,37)(H,38,40)/b9
-6+ |
| InChIKey | MSNUOLHOXQPCSP-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 |
11444862
|
| Drug Bank Link | - |
| ChemSpider Link | 9619724 |
| ChEMBL Link | CHEMBL362618 |
