| General Property |
| Molceule ID (DB) | EGIN0001351 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1e compound |
| IUPAC Name | N-(5-{[(3R)-3-aminopyrrolidin-1-yl]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1-[(3-fluorophenyl)methyl]-1H-indazol-5-amine |
| Formula | C25H25FN8 |
| Mass | 456.518 |
| Exact Mass | 456.218621 |
| Composition | C (65.77%), H (5.52%), F (4.16%), N (24.55%) |
| Atom Count | 59 |
| PI | 12.04 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1C[C@@H](CC1)N |
| InChI | 1S/C25H25FN8/c26-20-3-1-2-17(10-20)13-34-23-5-4-22(11-19(23)12-29-34)31-25-24-18(6-9-33(24)30-16-28-
25)14-32-8-7-21(27)15-32/h1-6,9-12,16,21H,7-8,13-15,27H2,(H,28,30,31)/t21-/m1/s1 |
| InChIKey | VSXDSBHUFXBAHM-OAQYLSRUSA-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 |
10217083
|
| Drug Bank Link | - |
| ChemSpider Link | 8392575 |
| ChEMBL Link | CHEMBL393848 |
