| General Property |
| Molceule ID (DB) | EGIN0001369 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8d compound |
| IUPAC Name | N-{5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-(pyridin-4-ylmethyl)-1H-indazol-5-amine |
| Formula | C25H27N9 |
| Mass | 453.5422 |
| Exact Mass | 453.2389419 |
| Composition | C (66.2%), H (6%), N (27.79%) |
| Atom Count | 61 |
| PI | 12.44 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccncc1)c(cc2)CN1CC[C@@H](CC1)N |
| InChI | 1S/C25H27N9/c26-21-6-10-32(11-7-21)16-19-5-12-33-24(19)25(28-17-30-33)31-22-1-2-23-20(13-22)14-29-34
(23)15-18-3-8-27-9-4-18/h1-5,8-9,12-14,17,21H,6-7,10-11,15-16,26H2,(H,28,30,31) |
| InChIKey | DBBVLPYZSAWTHY-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 |
44441016
|
| Drug Bank Link | - |
| ChemSpider Link | 23305271 |
| ChEMBL Link | CHEMBL247916 |
