| General Property |
| Molceule ID (DB) | EGIN0001349 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 12c compound |
| IUPAC Name | N-{5-[(4-aminopiperidin-1-yl)methyl]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 | 12.44 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@@H](CC1)N |
| InChI | 1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29
-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32) |
| InChIKey | WDJUUISIVREQHL-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 | 17606372 | 21177105 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | p38 | PKA | CDK2 | PKC | Met | VEGFR2 | LCK | ALL |
| Pub Chem Link |
10151881
|
| Drug Bank Link | - |
| ChemSpider Link | 8327389 |
| ChEMBL Link | CHEMBL248108 |
