General Property |
Molceule ID (DB) | EGIN0002746 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 6cc compound |
IUPAC Name | 3-[(4-methylbenzene)sulfonyl]-2-({3-[(4-methylbenzene)sulfonyl]-1H-indol-2-yl}disulfanyl)-1H-indole |
Formula | C30H24N2O4S4 |
Mass | 604.783 |
Exact Mass | 604.06189 |
Composition | C (59.58%), H (4%), N (4.63%), O (10.58%), S (21.21%) |
Atom Count | 64 |
PI | No isoelectric point. |
Smiles | c1(c([nH]c2c1cccc2)SSc1c(S(=O)(=O)c2ccc(cc2)C)c2c([nH]1)cccc2)S(=O)(=O)c1ccc(cc1)C |
InChI | 1S/C30H24N2O4S4/c1-19-11-15-21(16-12-19)39(33,34)27-23-7-3-5-9-25(23)31-29(27)37-38-30-28(24-8-4-6-1
0-26(24)32-30)40(35,36)22-17-13-20(2)14-18-22/h3-18,31-32H,1-2H3 |
InChIKey | DNWMFSJFDUXLDC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002746.png) | Structure Backbone | ![](./frame/f_EGIN0002746.png) |
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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 |
14943557
|
Drug Bank Link | - |
ChemSpider Link | 10212901 |
ChEMBL Link | CHEMBL347854 |