| General Property |
| Molceule ID (DB) | EGIN0004092 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1i 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-carboxylic acid |
| Formula | C27H26FN7O2 |
| Mass | 499.5394 |
| Exact Mass | 499.2132013 |
| Composition | C (64.92%), H (5.25%), F (3.8%), N (19.63%), O (6.41%) |
| Atom Count | 63 |
| PI | 6.21 |
| Smiles | c1(c2n(ncn1)ccc2CN1CC[C@H](CC1)C(=O)O)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C27H26FN7O2/c28-22-3-1-2-18(12-22)15-35-24-5-4-23(13-21(24)14-30-35)32-26-25-20(8-11-34(25)31-17-
29-26)16-33-9-6-19(7-10-33)27(36)37/h1-5,8,11-14,17,19H,6-7,9-10,15-16H2,(H,36,37)(H,29,31,32) |
| InChIKey | AWFCPTZKALKFEK-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 | 11389059 |
| ChEMBL Link | CHEMBL234772 |
