| General Property |
| Molceule ID (DB) | EGIN0002768 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7u compound |
| IUPAC Name | 1-methyl-2-({1-methyl-3-[(thiophen-2-yl)carbamoyl]-1H-indol-2-yl}disulfanyl)-N-(thiophen-2-yl)-1H-indole-3-carboxamide |
| Formula | C28H22N4O2S4 |
| Mass | 574.76 |
| Exact Mass | 574.0625587 |
| Composition | C (58.51%), H (3.86%), N (9.75%), O (5.57%), S (22.32%) |
| Atom Count | 60 |
| PI | 2.4 |
| Smiles | c1(c(C(=O)Nc2sccc2)c2c(n1C)cccc2)SSc1c(C(=O)Nc2sccc2)c2c(n1C)cccc2 |
| InChI | 1S/C28H22N4O2S4/c1-31-19-11-5-3-9-17(19)23(25(33)29-21-13-7-15-35-21)27(31)37-38-28-24(26(34)30-22-1
4-8-16-36-22)18-10-4-6-12-20(18)32(28)2/h3-16H,1-2H3,(H,29,33)(H,30,34) |
| InChIKey | PBNDAYGBTOORCP-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 |
10076837
|
| Drug Bank Link | - |
| ChemSpider Link | 8252375 |
| ChEMBL Link | CHEMBL345622 |
