| General Property |
| Molceule ID (DB) | EGIN0004076 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1n compound |
| IUPAC Name | 4-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperazin-2-one |
| Formula | C25H23FN8O |
| Mass | 470.5015 |
| Exact Mass | 470.1978856 |
| Composition | C (63.82%), H (4.93%), F (4.04%), N (23.82%), O (3.4%) |
| Atom Count | 58 |
| PI | 9.52 |
| Smiles | c1(c2n(ncn1)ccc2CN1CC(=O)NCC1)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C25H23FN8O/c26-20-3-1-2-17(10-20)13-34-22-5-4-21(11-19(22)12-29-34)31-25-24-18(6-8-33(24)30-16-28
-25)14-32-9-7-27-23(35)15-32/h1-6,8,10-12,16H,7,9,13-15H2,(H,27,35)(H,28,30,31) |
| InChIKey | BVMZNZPGSFCWPC-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 | 17368025 |
| 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 |
10227095
|
| Drug Bank Link | - |
| ChemSpider Link | 8402585 |
| ChEMBL Link | CHEMBL265629 |
