| General Property |
| Molceule ID (DB) | EGIN0001388 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid |
| 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 | 2.36 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)O)CC |
| InChI | 1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15
-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27) |
| InChIKey | WHYDOZDJTWFLEP-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 |
16730263
|
| Drug Bank Link | - |
| ChemSpider Link | 10700351 |
| ChEMBL Link | CHEMBL196438 |
