| General Property |
| Molceule ID (DB) | EGIN0002782 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10y compound |
| IUPAC Name | methyl 4-{[(1S,3R)-3-methyl-2-sulfanylidene-2,3-dihydro-1H-inden-1-yl]carbonyl}benzoate |
| Formula | C19H16O3S |
| Mass | 324.394 |
| Exact Mass | 324.0820151 |
| Composition | C (70.35%), H (4.97%), O (14.8%), S (9.88%) |
| Atom Count | 39 |
| PI | No isoelectric point. |
| Smiles | c1cccc2c1[C@H](C(=S)[C@@H]2C)C(=O)c1ccc(cc1)C(=O)OC |
| InChI | 1S/C19H16O3S/c1-11-14-5-3-4-6-15(14)16(18(11)23)17(20)12-7-9-13(10-8-12)19(21)22-2/h3-11,16H,1-2H3/t
11-,16+/m1/s1 |
| InChIKey | FXTRLHRXXVOADX-BZNIZROVSA-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 | 7837241 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
