| General Property |
| Molceule ID (DB) | EGIN0004073 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1k compound |
| IUPAC Name | 1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidine-4-carboxamide |
| Formula | C27H27FN8O |
| Mass | 498.5547 |
| Exact Mass | 498.2291857 |
| Composition | C (65.05%), H (5.46%), F (3.81%), N (22.48%), O (3.21%) |
| Atom Count | 64 |
| PI | 11.41 |
| Smiles | c1(c2n(ncn1)ccc2CN1CC[C@H](CC1)C(=O)N)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C27H27FN8O/c28-22-3-1-2-18(12-22)15-36-24-5-4-23(13-21(24)14-31-36)33-27-25-20(8-11-35(25)32-17-3
0-27)16-34-9-6-19(7-10-34)26(29)37/h1-5,8,11-14,17,19H,6-7,9-10,15-16H2,(H2,29,37)(H,30,32,33) |
| InChIKey | YRLXEVJADNDLHA-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 | 23292088 |
| ChEMBL Link | CHEMBL398388 |
