| General Property |
| Molceule ID (DB) | EGIN0001350 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1d compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-(5-{[(piperidin-4-yl)amino]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine |
| Formula | C26H27FN8 |
| Mass | 470.5446 |
| Exact Mass | 470.2342711 |
| Composition | C (66.37%), H (5.78%), F (4.04%), N (23.81%) |
| Atom Count | 62 |
| PI | 12.37 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CNC1CCNCC1 |
| InChI | 1S/C26H27FN8/c27-21-3-1-2-18(12-21)16-35-24-5-4-23(13-20(24)15-31-35)33-26-25-19(8-11-34(25)32-17-30
-26)14-29-22-6-9-28-10-7-22/h1-5,8,11-13,15,17,22,28-29H,6-7,9-10,14,16H2,(H,30,32,33) |
| InChIKey | BFBSQOKQECCEPF-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 |
10116123
|
| Drug Bank Link | - |
| ChemSpider Link | 8291646 |
| ChEMBL Link | CHEMBL392664 |
