| General Property |
| Molceule ID (DB) | EGIN0002662 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10r compound |
| IUPAC Name | (2R)-2-amino-3-[2-({3-[(2S)-2-amino-2-(benzylcarbamoyl)ethyl]-1H-indol-2-yl}sulfanyl)-1H-indol-3-yl]-N-benzylpropanamide |
| Formula | C36H36N6O2S |
| Mass | 616.775 |
| Exact Mass | 616.2620451 |
| Composition | C (70.1%), H (5.88%), N (13.63%), O (5.19%), S (5.2%) |
| Atom Count | 81 |
| PI | 10.7 |
| Smiles | c1cccc2c1c(c([nH]2)Sc1[nH]c2c(c1C[C@@H](C(=O)NCc1ccccc1)N)cccc2)C[C@@H](N)C(=O)NCc1ccccc1 |
| InChI | 1S/C36H36N6O2S/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)45-36-28(26-16
-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,39,4
3)(H,40,44)/t29-,30+ |
| InChIKey | DKVMBMSACRGZSO-RNPORBBMSA-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 | CHEMBL336174 |
