| General Property |
| Molceule ID (DB) | EGIN0001397 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl}acetic acid |
| 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 | 3.34 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)CC(=O)O)CC |
| InChI | 1S/C24H22N6O2/c1-2-20-18(11-22(31)32)14-30-23(20)24(25-15-27-30)28-19-8-9-21-17(10-19)12-26-29(21)13
-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,31,32)(H,25,27,28) |
| InChIKey | NFCDGHRKDYRHJM-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 |
23644675
|
| Drug Bank Link | - |
| ChemSpider Link | 23261281 |
| ChEMBL Link | CHEMBL372692 |
