| General Property |
| Molceule ID (DB) | EGIN0002756 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7i compound |
| IUPAC Name | methyl 4-{[(2-{[3-({[4-(methoxycarbonyl)phenyl]methyl}carbamoyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indol-3-yl)formamido]methyl}benzoate |
| Formula | C38H34N4O6S2 |
| Mass | 706.83 |
| Exact Mass | 706.1919762 |
| Composition | C (64.57%), H (4.85%), N (7.93%), O (13.58%), S (9.07%) |
| Atom Count | 84 |
| PI | 6.22 |
| Smiles | c1(c(c2c(n1C)cccc2)C(=O)NCc1ccc(C(=O)OC)cc1)SSc1c(c2c(n1C)cccc2)C(=O)NCc1ccc(C(=O)OC)cc1 |
| InChI | 1S/C38H34N4O6S2/c1-41-29-11-7-5-9-27(29)31(33(43)39-21-23-13-17-25(18-14-23)37(45)47-3)35(41)49-50-3
6-32(28-10-6-8-12-30(28)42(36)2)34(44)40-22-24-15-19-26(20-16-24)38(46)48-4/h5-20H,21-22H2,1-4H3,(H,
39,43)(H,40,44) |
| InChIKey | JZYBVZISBBJZHT-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 |
10349829
|
| Drug Bank Link | - |
| ChemSpider Link | 8525284 |
| ChEMBL Link | CHEMBL347659 |
