| General Property |
| Molceule ID (DB) | EGIN0002758 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7k compound |
| IUPAC Name | N,1-dimethyl-2-({1-methyl-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl}disulfanyl)-N-phenyl-1H-indole-3-carboxamide |
| Formula | C34H30N4O2S2 |
| Mass | 590.758 |
| Exact Mass | 590.1810176 |
| Composition | C (69.13%), H (5.12%), N (9.48%), O (5.42%), S (10.86%) |
| Atom Count | 72 |
| PI | No isoelectric point. |
| Smiles | c1(c(n(c2c1cccc2)C)SSc1c(C(=O)N(c2ccccc2)C)c2c(n1C)cccc2)C(=O)N(c1ccccc1)C |
| InChI | 1S/C34H30N4O2S2/c1-35(23-15-7-5-8-16-23)31(39)29-25-19-11-13-21-27(25)37(3)33(29)41-42-34-30(26-20-1
2-14-22-28(26)38(34)4)32(40)36(2)24-17-9-6-10-18-24/h5-22H,1-4H3 |
| InChIKey | TVCIQZVHRQGTLE-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 |
9985870
|
| Drug Bank Link | - |
| ChemSpider Link | 8161458 |
| ChEMBL Link | CHEMBL347256 |
