| General Property |
| Molceule ID (DB) | EGIN0002739 |
| Inhibitor Class | Diselenobis-indole |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | (2R)-2-amino-3-[2-({3-[(2R)-2-amino-2-(benzylcarbamoyl)ethyl]-1H-indol-2-yl}disulfanyl)-1H-indol-3-yl]-N-benzylpropanamide |
| Formula | C36H36N6O2S2 |
| Mass | 648.84 |
| Exact Mass | 648.2341158 |
| Composition | C (66.64%), H (5.59%), N (12.95%), O (4.93%), S (9.88%) |
| Atom Count | 82 |
| PI | 10.52 |
| Smiles | c1(c(c2c([nH]1)cccc2)C[C@H](C(=O)NCc1ccccc1)N)SSc1c(c2c([nH]1)cccc2)C[C@H](C(=O)NCc1ccccc1)N |
| InChI | 1S/C36H36N6O2S2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(2
6-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,
39,43)(H,40,44)/t29-,30-/m1/s1 |
| InChIKey | MCNYLFAPBYIPPD-LOYHVIPDSA-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 | 9046331 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485264 |
| ChEMBL Link | CHEMBL336174 |
