| General Property |
| Molceule ID (DB) | EGIN0001383 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5g compound |
| IUPAC Name | ethyl 4-[(1-benzyl-1H-indazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C23H20N6O2 |
| Mass | 412.4439 |
| Exact Mass | 412.1647739 |
| Composition | C (66.98%), H (4.89%), N (20.38%), O (7.76%) |
| Atom Count | 51 |
| PI | 7.96 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)cc(c2)C(=O)OCC |
| InChI | 1S/C23H20N6O2/c1-2-31-23(30)18-11-21-22(24-15-26-29(21)14-18)27-19-8-9-20-17(10-19)12-25-28(20)13-16
-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3,(H,24,26,27) |
| InChIKey | KBVZETYUCGGMRC-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 |
23646540
|
| Drug Bank Link | - |
| ChemSpider Link | 23261322 |
| ChEMBL Link | CHEMBL425738 |
