| General Property |
| Molceule ID (DB) | EGIN0001469 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-(5-{[(3R)-morpholin-3-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine |
| Formula | C26H26FN7O2 |
| Mass | 487.5287 |
| Exact Mass | 487.2132013 |
| Composition | C (64.05%), H (5.38%), F (3.9%), N (20.11%), O (6.56%) |
| Atom Count | 62 |
| PI | 11.14 |
| Smiles | [C@H]1(COCCN1)COCc1c2c(ncnn2cc1)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F |
| InChI | 1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)13-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-2
9-26)14-36-16-23-15-35-9-7-28-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1 |
| InChIKey | VLYYUZFBTALINK-QHCPKHFHSA-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 |
44440835
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL246492 |
