| General Property |
| Molceule ID (DB) | EGIN0004093 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1j compound |
| IUPAC Name | methyl 1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidine-4-carboxylate |
| Formula | C28H28FN7O2 |
| Mass | 513.566 |
| Exact Mass | 513.2288514 |
| Composition | C (65.48%), H (5.5%), F (3.7%), N (19.09%), O (6.23%) |
| Atom Count | 66 |
| PI | 11.09 |
| Smiles | c1(c2n(ncn1)ccc2CN1CC[C@H](CC1)C(=O)OC)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C28H28FN7O2/c1-38-28(37)20-7-10-34(11-8-20)17-21-9-12-35-26(21)27(30-18-32-35)33-24-5-6-25-22(14-
24)15-31-36(25)16-19-3-2-4-23(29)13-19/h2-6,9,12-15,18,20H,7-8,10-11,16-17H2,1H3,(H,30,32,33) |
| InChIKey | QHGVESLEXVDJPY-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 | 17368025 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23292085 |
| ChEMBL Link | CHEMBL231663 |
