| General Property |
| Molceule ID (DB) | EGIN0001362 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 11b compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-(1,4-diazepan-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
| Formula | C25H26ClFN6O |
| Mass | 480.965 |
| Exact Mass | 480.1840654 |
| Composition | C (62.43%), H (5.45%), Cl (7.37%), F (3.95%), N (17.47%), O (3.33%) |
| Atom Count | 60 |
| PI | 12.55 |
| Smiles | n1cnn2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)c(cc2)CN1CCNCCC1 |
| InChI | 1S/C25H26ClFN6O/c26-22-14-21(5-6-23(22)34-16-18-3-1-4-20(27)13-18)31-25-24-19(7-11-33(24)30-17-29-25
)15-32-10-2-8-28-9-12-32/h1,3-7,11,13-14,17,28H,2,8-10,12,15-16H2,(H,29,30,31) |
| InChIKey | HRJCFUJRPZRZAO-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 | 17606372 |
| 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 |
22055262
|
| Drug Bank Link | - |
| ChemSpider Link | 10805122 |
| ChEMBL Link | CHEMBL247709 |
