| General Property |
| Molceule ID (DB) | EGIN0002772 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7y compound |
| IUPAC Name | methyl 4-({2-[(3-{[4-(methoxycarbonyl)phenyl]carbonyl}-1-methyl-1H-indol-2-yl)disulfanyl]-1-methyl-1H-indol-3-yl}carbonyl)benzoate |
| Formula | C36H28N2O6S2 |
| Mass | 648.747 |
| Exact Mass | 648.138878 |
| Composition | C (66.65%), H (4.35%), N (4.32%), O (14.8%), S (9.89%) |
| Atom Count | 74 |
| PI | No isoelectric point. |
| Smiles | c1(c(n(c2c1cccc2)C)SSc1c(c2c(n1C)cccc2)C(=O)c1ccc(C(=O)OC)cc1)C(=O)c1ccc(C(=O)OC)cc1 |
| InChI | 1S/C36H28N2O6S2/c1-37-27-11-7-5-9-25(27)29(31(39)21-13-17-23(18-14-21)35(41)43-3)33(37)45-46-34-30(2
6-10-6-8-12-28(26)38(34)2)32(40)22-15-19-24(20-16-22)36(42)44-4/h5-20H,1-4H3 |
| InChIKey | QVVWIAHPRDHWQD-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 |
10439212
|
| Drug Bank Link | - |
| ChemSpider Link | 8614633 |
| ChEMBL Link | CHEMBL346553 |
