| General Property |
| Molceule ID (DB) | EGIN0001370 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8e compound |
| IUPAC Name | N-{5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-[(5-methylpyridin-3-yl)methyl]-1H-indazol-5-amine |
| Formula | C26H29N9 |
| Mass | 467.5688 |
| Exact Mass | 467.254592 |
| Composition | C (66.79%), H (6.25%), N (26.96%) |
| Atom Count | 64 |
| PI | 12.44 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cc(cnc1)C)c(cc2)CN1CC[C@@H](CC1)N |
| InChI | 1S/C26H29N9/c1-18-10-19(13-28-12-18)15-35-24-3-2-23(11-21(24)14-30-35)32-26-25-20(4-9-34(25)31-17-29
-26)16-33-7-5-22(27)6-8-33/h2-4,9-14,17,22H,5-8,15-16,27H2,1H3,(H,29,31,32) |
| InChIKey | WUPUQIUJIDRWAX-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 |
44441017
|
| Drug Bank Link | - |
| ChemSpider Link | 23305272 |
| ChEMBL Link | CHEMBL248114 |
