| General Property |
| Molceule ID (DB) | EGIN0001348 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1p compound |
| IUPAC Name | N-[5-(1,4-diazepan-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1-[(3-fluorophenyl)methyl]-1H-indazol-5-amine |
| Formula | C26H27FN8 |
| Mass | 470.5446 |
| Exact Mass | 470.2342711 |
| Composition | C (66.37%), H (5.78%), F (4.04%), N (23.81%) |
| Atom Count | 62 |
| PI | 12.24 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CCNCCC1 |
| InChI | 1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29
-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32) |
| InChIKey | ZMUYXYMWLSIFRR-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 | 17606372 | |
| 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 |
9825976
|
| Drug Bank Link | - |
| ChemSpider Link | 8001720 |
| ChEMBL Link | CHEMBL392273 |
