| General Property |
| Molceule ID (DB) | EGIN0001356 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1j compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-[5-({4-[(2-methanesulfonylethyl)amino]piperidin-1-yl}methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1H-indazol-5-amine |
| Formula | C29H33FN8O2S |
| Mass | 576.688 |
| Exact Mass | 576.2431212 |
| Composition | C (60.4%), H (5.77%), F (3.29%), N (19.43%), O (5.55%), S (5.56%) |
| Atom Count | 74 |
| PI | 11.74 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@H](CC1)NCCS(=O)(=O)C |
| InChI | 1S/C29H33FN8O2S/c1-41(39,40)14-10-31-25-8-11-36(12-9-25)19-22-7-13-37-28(22)29(32-20-34-37)35-26-5-6
-27-23(16-26)17-33-38(27)18-21-3-2-4-24(30)15-21/h2-7,13,15-17,20,25,31H,8-12,14,18-19H2,1H3,(H,32,3
4,35) |
| InChIKey | XFUGKGRUXXJRJA-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 |
22390541
|
| Drug Bank Link | - |
| ChemSpider Link | 11389084 |
| ChEMBL Link | CHEMBL246898 |
