| General Property |
| Molceule ID (DB) | EGIN0000404 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 47 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}prop-2-enamide |
| Formula | C19H13BrN4O |
| Mass | 393.237 |
| Exact Mass | 392.0272737 |
| Composition | C (58.03%), H (3.33%), Br (20.32%), N (14.25%), O (4.07%) |
| Atom Count | 38 |
| PI | 9.13 |
| Smiles | c12c(ccc(c1)NC(=O)C=C)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C19H13BrN4O/c1-2-18(25)23-15-6-7-17-16(9-15)19(12(10-21)11-22-17)24-14-5-3-4-13(20)8-14/h2-9,11H,
1H2,(H,22,24)(H,23,25) |
| InChIKey | MSLIBSZZLAWHQM-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 | 15006373 | |
| 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 |
9930439
|
| Drug Bank Link | - |
| ChemSpider Link | 8106070 |
| ChEMBL Link | CHEMBL281300 |
