| General Property |
| Molceule ID (DB) | EGIN0001359 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1m compound |
| IUPAC Name | N-(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)-2-hydroxyacetamide |
| Formula | C28H29FN8O2 |
| Mass | 528.5807 |
| Exact Mass | 528.2397504 |
| Composition | C (63.62%), H (5.53%), F (3.59%), N (21.2%), O (6.05%) |
| Atom Count | 68 |
| PI | 10.73 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@H](CC1)NC(=O)CO |
| InChI | 1S/C28H29FN8O2/c29-22-3-1-2-19(12-22)15-37-25-5-4-24(13-21(25)14-31-37)34-28-27-20(6-11-36(27)32-18-
30-28)16-35-9-7-23(8-10-35)33-26(39)17-38/h1-6,11-14,18,23,38H,7-10,15-17H2,(H,33,39)(H,30,32,34) |
| InChIKey | VWQGZWGCZQZISM-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 |
22390495
|
| Drug Bank Link | - |
| ChemSpider Link | 11389019 |
| ChEMBL Link | CHEMBL247513 |
