| General Property |
| Molceule ID (DB) | EGIN0002763 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7p compound |
| IUPAC Name | methyl 3-{2-[(3-{[3-(methoxycarbonyl)phenyl]carbamoyl}-1-methyl-1H-indol-2-yl)disulfanyl]-1-methyl-1H-indole-3-amido}benzoate |
| Formula | C36H30N4O6S2 |
| Mass | 678.777 |
| Exact Mass | 678.1606761 |
| Composition | C (63.7%), H (4.45%), N (8.25%), O (14.14%), S (9.45%) |
| Atom Count | 78 |
| PI | 2.74 |
| Smiles | c1(c(C(=O)Nc2cc(C(=O)OC)ccc2)c2c(n1C)cccc2)SSc1c(C(=O)Nc2cc(C(=O)OC)ccc2)c2c(n1C)cccc2 |
| InChI | 1S/C36H30N4O6S2/c1-39-27-17-7-5-15-25(27)29(31(41)37-23-13-9-11-21(19-23)35(43)45-3)33(39)47-48-34-3
0(26-16-6-8-18-28(26)40(34)2)32(42)38-24-14-10-12-22(20-24)36(44)46-4/h5-20H,1-4H3,(H,37,41)(H,38,42
) |
| InChIKey | WBFMGVCSGKMMGU-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 |
10327196
|
| Drug Bank Link | - |
| ChemSpider Link | 8502657 |
| ChEMBL Link | CHEMBL158596 |
