| General Property |
| Molceule ID (DB) | EGIN0001357 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1k compound |
| IUPAC Name | N-(5-{[4-(dimethylamino)piperidin-1-yl]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1-[(3-fluorophenyl)methyl]-1H-indazol-5-amine |
| Formula | C28H31FN8 |
| Mass | 498.5977 |
| Exact Mass | 498.2655712 |
| Composition | C (67.45%), H (6.27%), F (3.81%), N (22.47%) |
| Atom Count | 68 |
| PI | 12.29 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@@H](CC1)N(C)C |
| InChI | 1S/C28H31FN8/c1-34(2)25-9-11-35(12-10-25)18-21-8-13-36-27(21)28(30-19-32-36)33-24-6-7-26-22(15-24)16
-31-37(26)17-20-4-3-5-23(29)14-20/h3-8,13-16,19,25H,9-12,17-18H2,1-2H3,(H,30,32,33) |
| InChIKey | NLZSXRKDMHPVOQ-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 |
22390530
|
| Drug Bank Link | - |
| ChemSpider Link | 11389067 |
| ChEMBL Link | CHEMBL247309 |
