| General Property |
| Molceule ID (DB) | EGIN0002665 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10u compound |
| IUPAC Name | N-benzyl-4-[2-({3-[3-(benzylcarbamoyl)propyl]-1H-indol-2-yl}sulfanyl)-1H-indol-3-yl]butanamide |
| Formula | C38H38N4O2S |
| Mass | 614.799 |
| Exact Mass | 614.2715472 |
| Composition | C (74.24%), H (6.23%), N (9.11%), O (5.2%), S (5.22%) |
| Atom Count | 83 |
| PI | 6.36 |
| Smiles | c1cccc2c1c(c([nH]2)Sc1[nH]c2c(c1CCCC(=O)NCc1ccccc1)cccc2)CCCC(=O)NCc1ccccc1 |
| InChI | 1S/C38H38N4O2S/c43-35(39-25-27-13-3-1-4-14-27)23-11-19-31-29-17-7-9-21-33(29)41-37(31)45-38-32(30-18
-8-10-22-34(30)42-38)20-12-24-36(44)40-26-28-15-5-2-6-16-28/h1-10,13-18,21-22,41-42H,11-12,19-20,23-
26H2,(H,39,43)(H,40,44) |
| InChIKey | NAUIRGQBISZRIU-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 | 7510340 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
10031731
|
| Drug Bank Link | - |
| ChemSpider Link | 8207302 |
| ChEMBL Link | CHEMBL156555 |
