| General Property |
| Molceule ID (DB) | EGIN0002535 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 7a compound |
| IUPAC Name | 1-methyl-N-(5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine |
| Formula | C20H23N7O2 |
| Mass | 393.4423 |
| Exact Mass | 393.191323 |
| Composition | C (61.05%), H (5.89%), N (24.92%), O (8.13%) |
| Atom Count | 52 |
| PI | 11.42 |
| Smiles | n1cnc(c2n1ccc2COC[C@@H]1CNCCO1)Nc1cc2c(cc1)n(nc2)C |
| InChI | 1S/C20H23N7O2/c1-26-18-3-2-16(8-15(18)9-23-26)25-20-19-14(4-6-27(19)24-13-22-20)11-28-12-17-10-21-5-
7-29-17/h2-4,6,8-9,13,17,21H,5,7,10-12H2,1H3,(H,22,24,25)/t17-/m0/s1 |
| InChIKey | VPNBNXNQPSWMMV-KRWDZBQOSA-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 | 21177105 |
| 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 |
53325588
|
| Drug Bank Link | - |
| ChemSpider Link | 26377643 |
| ChEMBL Link | CHEMBL1645463 |
