| General Property |
| Molceule ID (DB) | EGIN0004091 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1h compound |
| IUPAC Name | 1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidin-4-ol |
| Formula | C26H26FN7O |
| Mass | 471.5293 |
| Exact Mass | 471.2182867 |
| Composition | C (66.23%), H (5.56%), F (4.03%), N (20.79%), O (3.39%) |
| Atom Count | 61 |
| PI | 11.17 |
| Smiles | c1(c2n(ncn1)ccc2CN1CC[C@H](CC1)O)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C26H26FN7O/c27-21-3-1-2-18(12-21)15-34-24-5-4-22(13-20(24)14-29-34)31-26-25-19(6-11-33(25)30-17-2
8-26)16-32-9-7-23(35)8-10-32/h1-6,11-14,17,23,35H,7-10,15-16H2,(H,28,30,31) |
| InChIKey | ISWJWVDIXBDXGN-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 |
10310843
|
| Drug Bank Link | - |
| ChemSpider Link | 8486309 |
| ChEMBL Link | CHEMBL401443 |
