| General Property |
| Molceule ID (DB) | EGIN0004081 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1s 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}-1,4-diazepan-5-one |
| Formula | C26H25FN8O |
| Mass | 484.5281 |
| Exact Mass | 484.2135357 |
| Composition | C (64.45%), H (5.2%), F (3.92%), N (23.13%), O (3.3%) |
| Atom Count | 61 |
| PI | 10.7 |
| Smiles | c1(c2n(ncn1)ccc2CN1CCC(=O)NCC1)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C26H25FN8O/c27-21-3-1-2-18(12-21)15-35-23-5-4-22(13-20(23)14-30-35)32-26-25-19(6-10-34(25)31-17-2
9-26)16-33-9-7-24(36)28-8-11-33/h1-6,10,12-14,17H,7-9,11,15-16H2,(H,28,36)(H,29,31,32) |
| InChIKey | BOURCKXZYDOVSP-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 |
10288917
|
| Drug Bank Link | - |
| ChemSpider Link | 8464386 |
| ChEMBL Link | CHEMBL233324 |
