| General Property |
| Molceule ID (DB) | EGIN0003455 |
| Inhibitor Class | Chalcone |
| Molecule Name in Refrence Article | 6c compound |
| IUPAC Name | 4-[(2E)-2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-fluoro-3-nitrophenyl)prop-2-enoyl]benzoic acid |
| Formula | C23H15BrFNO5S |
| Mass | 516.336 |
| Exact Mass | 514.9838341 |
| Composition | C (53.5%), H (2.93%), Br (15.48%), F (3.68%), N (2.71%), O (15.49%), S (6.21%) |
| Atom Count | 47 |
| PI | No isoelectric point. |
| Smiles | C(=O)(c1ccc(cc1)C(=O)/C(=Cc1cc(c(cc1)F)[N+](=O)[O-])/SCc1ccc(cc1)Br)O |
| InChI | 1S/C23H15BrFNO5S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-
5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+ |
| InChIKey | VTLBOGLRMDPIDX-CIAFOILYSA-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 | 20188579 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ErbB2 | EGFR | CDK1 | PlK1 | Src | Lyn-B | BCR-ABL | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 26352294 |
| ChEMBL Link | CHEMBL1242482 |
