| General Property |
| Molceule ID (DB) | EGIN0002448 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 21 Compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-[(prop-2-yn-1-yl)amino]but-2-enamide |
| Formula | C25H21ClFN5O2 |
| Mass | 477.918 |
| Exact Mass | 477.1367809 |
| Composition | C (62.83%), H (4.43%), Cl (7.42%), F (3.98%), N (14.65%), O (6.7%) |
| Atom Count | 55 |
| PI | 10.48 |
| Smiles | C(/C=C/C(=O)Nc1cc2c(c(cnc2cc1OCC)C#N)Nc1cc(c(cc1)F)Cl)NCC#C |
| InChI | 1S/C25H21ClFN5O2/c1-3-9-29-10-5-6-24(33)32-22-12-18-21(13-23(22)34-4-2)30-15-16(14-28)25(18)31-17-7-
8-20(27)19(26)11-17/h1,5-8,11-13,15,29H,4,9-10H2,2H3,(H,30,31)(H,32,33)/b6-5+ |
| InChIKey | DBNKNZTWWHDYFH-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 | 20797871 |
| 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 | 26349640 |
| ChEMBL Link | CHEMBL1243316 |
