| General Property |
| Molceule ID (DB) | EGIN0004781 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | 13 |
| IUPAC Name | 3-{[(4Z)-1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate |
| Formula | C21H12ClFN2O4S |
| Mass | 442.847 |
| Exact Mass | 442.0190335 |
| Composition | C (56.96%), H (2.73%), Cl (8.01%), F (4.29%), N (6.33%), O (14.45%), S (7.24%) |
| Atom Count | 42 |
| PI | No isoelectric point. |
| Smiles | c1(c(ccc(c1)N1C(=O)/C(=Cc2cccc(c2)OC(=O)c2sccc2)/C(=O)N1)F)Cl |
| InChI | 1S/C21H12ClFN2O4S/c22-16-11-13(6-7-17(16)23)25-20(27)15(19(26)24-25)10-12-3-1-4-14(9-12)29-21(28)18-
5-2-8-30-18/h1-11H,(H,24,26)/b15-10- |
| InChIKey | JNUIQGKVFFMDLX-GDNBJRDFSA-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 |
1007600
|
| Drug Bank Link | - |
| ChemSpider Link | 870605 |
| ChEMBL Link | CHEMBL1504817 |
