| General Property |
| Molceule ID (DB) | EGIN0000384 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | 4-[bis(propan-2-yl)amino]-N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}but-2-ynamide |
| Formula | C26H26BrN5O |
| Mass | 504.422 |
| Exact Mass | 503.1320731 |
| Composition | C (61.91%), H (5.2%), Br (15.84%), N (13.88%), O (3.17%) |
| Atom Count | 59 |
| PI | 10.49 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN(C(C)C)C(C)C)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C26H26BrN5O/c1-17(2)32(18(3)4)12-6-9-25(33)30-22-10-11-24-23(14-22)26(19(15-28)16-29-24)31-21-8-5
-7-20(27)13-21/h5,7-8,10-11,13-14,16-18H,12H2,1-4H3,(H,29,31)(H,30,33) |
| InChIKey | OXGRVGJNLBMVAH-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 |
10973186
|
| Drug Bank Link | - |
| ChemSpider Link | 9148392 |
| ChEMBL Link | CHEMBL113900 |
