| General Property |
| Molceule ID (DB) | EGIN0002781 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10x compound |
| IUPAC Name | 4-{[(1S,3R)-3-methyl-2-sulfanylidene-2,3-dihydro-1H-inden-1-yl]carbonyl}benzoic acid |
| Formula | C18H14O3S |
| Mass | 310.367 |
| Exact Mass | 310.066365 |
| Composition | C (69.66%), H (4.55%), O (15.46%), S (10.33%) |
| Atom Count | 36 |
| PI | No isoelectric point. |
| Smiles | c1cccc2c1[C@H](C(=S)[C@@H]2C)C(=O)c1ccc(cc1)C(=O)O |
| InChI | 1S/C18H14O3S/c1-10-13-4-2-3-5-14(13)15(17(10)22)16(19)11-6-8-12(9-7-11)18(20)21/h2-10,15H,1H3,(H,20,
21)/t10-,15+/m1/s1 |
| InChIKey | AYDLVWZVUWOYKG-BMIGLBTASA-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 | - |
