| General Property |
| Molceule ID (DB) | EGIN0001384 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5h compound |
| IUPAC Name | ethyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C24H22N6O2 |
| Mass | 426.4705 |
| Exact Mass | 426.180424 |
| Composition | C (67.59%), H (5.2%), N (19.71%), O (7.5%) |
| Atom Count | 54 |
| PI | 8.02 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)OCC)C |
| InChI | 1S/C24H22N6O2/c1-3-32-24(31)20-14-30-22(16(20)2)23(25-15-27-30)28-19-9-10-21-18(11-19)12-26-29(21)13
-17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,25,27,28) |
| InChIKey | GPXPDUOFHSGRBJ-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 |
23646541
|
| Drug Bank Link | - |
| ChemSpider Link | 23261327 |
| ChEMBL Link | CHEMBL196738 |
