| General Property |
| Molceule ID (DB) | EGIN0001395 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 1-benzyl-N-[6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-1H-indazol-5-amine |
| Formula | C25H26N6O |
| Mass | 426.5135 |
| Exact Mass | 426.2168095 |
| Composition | C (70.4%), H (6.14%), N (19.7%), O (3.75%) |
| Atom Count | 58 |
| PI | 8.76 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)COCC)CC |
| InChI | 1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-
18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29) |
| InChIKey | CBDBASHBUAODSV-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 |
23646548
|
| Drug Bank Link | - |
| ChemSpider Link | 23261272 |
| ChEMBL Link | CHEMBL196548 |
