| General Property |
| Molceule ID (DB) | EGIN0002655 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10k compound |
| IUPAC Name | methyl 3-({3-[2-({3-[2-({[3-(methoxycarbonyl)phenyl]methyl}carbamoyl)ethyl]-1H-indol-2-yl}sulfanyl)-1H-indol-3-yl]propanamido}methyl)benzoate |
| Formula | C40H38N4O6S |
| Mass | 702.818 |
| Exact Mass | 702.2512057 |
| Composition | C (68.36%), H (5.45%), N (7.97%), O (13.66%), S (4.56%) |
| Atom Count | 89 |
| PI | 6.21 |
| Smiles | c1cccc2c1c(c([nH]2)Sc1c(c2c([nH]1)cccc2)CCC(=O)NCc1cccc(c1)C(=O)OC)CCC(=O)NCc1cccc(c1)C(=O)OC |
| InChI | 1S/C40H38N4O6S/c1-49-39(47)27-11-7-9-25(21-27)23-41-35(45)19-17-31-29-13-3-5-15-33(29)43-37(31)51-38
-32(30-14-4-6-16-34(30)44-38)18-20-36(46)42-24-26-10-8-12-28(22-26)40(48)50-2/h3-16,21-22,43-44H,17-
20,23-24H2,1-2H3,(H,41,45)(H,42,46) |
| InChIKey | LRIFPRBBAOQHDJ-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL154080 |
