| General Property |
| Molceule ID (DB) | EGIN0004854 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | 5 |
| IUPAC Name | (4E)-1-(3,4-dimethylphenyl)-4-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione |
| Formula | C22H17N3O6 |
| Mass | 419.3869 |
| Exact Mass | 419.1117353 |
| Composition | C (63.01%), H (4.09%), N (10.02%), O (22.89%) |
| Atom Count | 48 |
| PI | No isoelectric point. |
| Smiles | c1cc(cc(c1O)c1oc(cc1)/C=C1/C(=O)N(NC1=O)c1cc(c(cc1)C)C)[N+](=O)[O-] |
| InChI | 1S/C22H17N3O6/c1-12-3-4-14(9-13(12)2)24-22(28)18(21(27)23-24)11-16-6-8-20(31-16)17-10-15(25(29)30)5-
7-19(17)26/h3-11,26H,1-2H3,(H,23,27)/b18-11+ |
| InChIKey | JKFICPIMSFBOJJ-WOJGMQOQSA-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 | 22595177 |
| 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 |
1742852
|
| Drug Bank Link | - |
| ChemSpider Link | 28509013 |
| ChEMBL Link | - |
