| General Property |
| Molceule ID (DB) | EGIN0000405 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 48 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}prop-2-enamide |
| Formula | C20H15BrN4O2 |
| Mass | 423.263 |
| Exact Mass | 422.0378384 |
| Composition | C (56.75%), H (3.57%), Br (18.88%), N (13.24%), O (7.56%) |
| Atom Count | 42 |
| PI | 8.38 |
| Smiles | c12c(cc(c(c1)NC(=O)C=C)OC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C20H15BrN4O2/c1-3-19(26)25-17-8-15-16(9-18(17)27-2)23-11-12(10-22)20(15)24-14-6-4-5-13(21)7-14/h3
-9,11H,1H2,2H3,(H,23,24)(H,25,26) |
| InChIKey | HKLOKSUROGEMSK-UHFFFAOYSA-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 | 12502359 |
| 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 |
10295839
|
| Drug Bank Link | - |
| ChemSpider Link | 8471307 |
| ChEMBL Link | CHEMBL324718 |
