| General Property |
| Molceule ID (DB) | EGIN0001393 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | {4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl}methanol |
| Formula | C23H22N6O |
| Mass | 398.4604 |
| Exact Mass | 398.1855094 |
| Composition | C (69.33%), H (5.57%), N (21.09%), O (4.02%) |
| Atom Count | 52 |
| PI | 8.57 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)CO)CC |
| InChI | 1S/C23H22N6O/c1-2-20-18(14-30)13-29-22(20)23(24-15-26-29)27-19-8-9-21-17(10-19)11-25-28(21)12-16-6-4
-3-5-7-16/h3-11,13,15,30H,2,12,14H2,1H3,(H,24,26,27) |
| InChIKey | RVFNMWDKGFLUFT-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 |
21945809
|
| Drug Bank Link | - |
| ChemSpider Link | 10700334 |
| ChEMBL Link | CHEMBL373025 |
