| General Property |
| Molceule ID (DB) | EGIN0001455 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-[5-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1H-indazol-5-amine |
| Formula | C22H19FN6O |
| Mass | 402.4243 |
| Exact Mass | 402.1604375 |
| Composition | C (65.66%), H (4.76%), F (4.72%), N (20.88%), O (3.98%) |
| Atom Count | 49 |
| PI | 8.42 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COC |
| InChI | 1S/C22H19FN6O/c1-30-13-16-7-8-28-21(16)22(24-14-26-28)27-19-5-6-20-17(10-19)11-25-29(20)12-15-3-2-4-
18(23)9-15/h2-11,14H,12-13H2,1H3,(H,24,26,27) |
| InChIKey | JJHHXMMEZIIKRB-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 | 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 |
44440820
|
| Drug Bank Link | - |
| ChemSpider Link | 23305103 |
| ChEMBL Link | CHEMBL394056 |
