| General Property |
| Molceule ID (DB) | EGIN0001394 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 1-benzyl-N-{5-ethyl-6-[(ethylamino)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1H-indazol-5-amine |
| Formula | C25H27N7 |
| Mass | 425.5288 |
| Exact Mass | 425.2327939 |
| Composition | C (70.56%), H (6.4%), N (23.04%) |
| Atom Count | 59 |
| PI | 12.1 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)CNCC)CC |
| InChI | 1S/C25H27N7/c1-3-22-20(13-26-4-2)16-32-24(22)25(27-17-29-32)30-21-10-11-23-19(12-21)14-28-31(23)15-1
8-8-6-5-7-9-18/h5-12,14,16-17,26H,3-4,13,15H2,1-2H3,(H,27,29,30) |
| InChIKey | XLQRPZAGFWJWJE-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 | 16111887 |
| 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 |
23646547
|
| Drug Bank Link | - |
| ChemSpider Link | 23261271 |
| ChEMBL Link | CHEMBL369967 |
