| General Property |
| Molceule ID (DB) | EGIN0002771 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7x compound |
| IUPAC Name | 4-{[2-({3-[(4-carboxyphenyl)carbonyl]-1-methyl-1H-indol-2-yl}disulfanyl)-1-methyl-1H-indol-3-yl]carbonyl}benzoic acid |
| Formula | C34H24N2O6S2 |
| Mass | 620.694 |
| Exact Mass | 620.1075779 |
| Composition | C (65.79%), H (3.9%), N (4.51%), O (15.47%), S (10.33%) |
| Atom Count | 68 |
| PI | No isoelectric point. |
| Smiles | c1(c(n(c2c1cccc2)C)SSc1c(c2c(n1C)cccc2)C(=O)c1ccc(C(=O)O)cc1)C(=O)c1ccc(C(=O)O)cc1 |
| InChI | 1S/C34H24N2O6S2/c1-35-25-9-5-3-7-23(25)27(29(37)19-11-15-21(16-12-19)33(39)40)31(35)43-44-32-28(24-8
-4-6-10-26(24)36(32)2)30(38)20-13-17-22(18-14-20)34(41)42/h3-18H,1-2H3,(H,39,40)(H,41,42) |
| InChIKey | GGISTQYRESWHKH-UHFFFAOYSA-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 |
10348925
|
| Drug Bank Link | - |
| ChemSpider Link | 8524383 |
| ChEMBL Link | CHEMBL346770 |
