| General Property |
| Molceule ID (DB) | EGIN0000382 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]but-2-ynamide |
| Formula | C26H24BrN5O2 |
| Mass | 518.405 |
| Exact Mass | 517.1113377 |
| Composition | C (60.24%), H (4.67%), Br (15.41%), N (13.51%), O (6.17%) |
| Atom Count | 58 |
| PI | 9.96 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN1[C@H](CCC1)COC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C26H24BrN5O2/c1-34-17-22-7-3-11-32(22)12-4-8-25(33)30-21-9-10-24-23(14-21)26(18(15-28)16-29-24)31
-20-6-2-5-19(27)13-20/h2,5-6,9-10,13-14,16,22H,3,7,11-12,17H2,1H3,(H,29,31)(H,30,33)/t22-/m1/s1 |
| InChIKey | CCUWFRBLNGOQSJ-JOCHJYFZSA-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 |
11071370
|
| Drug Bank Link | - |
| ChemSpider Link | 9246522 13551270 |
| ChEMBL Link | CHEMBL117324 |
