| General Property |
| Molceule ID (DB) | EGIN0001385 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5i compound |
| IUPAC Name | ethyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C26H26N6O2 |
| Mass | 454.5236 |
| Exact Mass | 454.2117241 |
| Composition | C (68.7%), H (5.77%), N (18.49%), O (7.04%) |
| Atom Count | 60 |
| PI | 7.99 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)OCC)C(C)C |
| InChI | 1S/C26H26N6O2/c1-4-34-26(33)21-15-32-24(23(21)17(2)3)25(27-16-29-32)30-20-10-11-22-19(12-20)13-28-31
(22)14-18-8-6-5-7-9-18/h5-13,15-17H,4,14H2,1-3H3,(H,27,29,30) |
| InChIKey | DLACNDICKJWAMH-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 |
23646542
|
| Drug Bank Link | - |
| ChemSpider Link | 23261328 |
| ChEMBL Link | CHEMBL365606 |
