| General Property |
| Molceule ID (DB) | EGIN0001355 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1i compound |
| IUPAC Name | 2-[(1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidin-4-yl)amino]ethan-1-ol |
| Formula | C28H31FN8O |
| Mass | 514.5971 |
| Exact Mass | 514.2604859 |
| Composition | C (65.35%), H (6.07%), F (3.69%), N (21.78%), O (3.11%) |
| Atom Count | 69 |
| PI | 12.25 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@H](CC1)NCCO |
| InChI | 1S/C28H31FN8O/c29-23-3-1-2-20(14-23)17-37-26-5-4-25(15-22(26)16-32-37)34-28-27-21(6-12-36(27)33-19-3
1-28)18-35-10-7-24(8-11-35)30-9-13-38/h1-6,12,14-16,19,24,30,38H,7-11,13,17-18H2,(H,31,33,34) |
| InChIKey | YVHIBMWTWVBAAS-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 | 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 |
10152514
|
| Drug Bank Link | - |
| ChemSpider Link | 8328022 |
| ChEMBL Link | CHEMBL247104 |
