| General Property |
| Molceule ID (DB) | EGIN0001462 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | N-{5-[(4-aminobutoxy)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-[(3-fluorophenyl)methyl]-1H-indazol-5-amine |
| Formula | C25H26FN7O |
| Mass | 459.5186 |
| Exact Mass | 459.2182867 |
| Composition | C (65.34%), H (5.7%), F (4.13%), N (21.34%), O (3.48%) |
| Atom Count | 60 |
| PI | 12.32 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COCCCCN |
| InChI | 1S/C25H26FN7O/c26-21-5-3-4-18(12-21)15-33-23-7-6-22(13-20(23)14-29-33)31-25-24-19(16-34-11-2-1-9-27)
8-10-32(24)30-17-28-25/h3-8,10,12-14,17H,1-2,9,11,15-16,27H2,(H,28,30,31) |
| InChIKey | MRDZXMOZCRVRBY-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 | 17270437 |
| 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 |
10226418
|
| Drug Bank Link | - |
| ChemSpider Link | 8401908 |
| ChEMBL Link | CHEMBL245867 |
