| General Property |
| Molceule ID (DB) | EGIN0002844 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10k compound |
| IUPAC Name | 2-{[5-(acetyloxy)-1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1-methyl-3-(phenylcarbamoyl)-1H-indol-5-yl acetate |
| Formula | C36H30N4O6S2 |
| Mass | 678.777 |
| Exact Mass | 678.1606761 |
| Composition | C (63.7%), H (4.45%), N (8.25%), O (14.14%), S (9.45%) |
| Atom Count | 78 |
| PI | 3.63 |
| Smiles | Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(ccc3n2C)OC(=O)C)c(C(=O)Nc2ccccc2)c2cc(ccc12)OC(=O)C |
| InChI | 1S/C36H30N4O6S2/c1-21(41)45-25-15-17-29-27(19-25)31(33(43)37-23-11-7-5-8-12-23)35(39(29)3)47-48-36-3
2(34(44)38-24-13-9-6-10-14-24)28-20-26(46-22(2)42)16-18-30(28)40(36)4/h5-20H,1-4H3,(H,37,43)(H,38,44
) |
| InChIKey | DQTFQGFYHRMPLB-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 | 8027985 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328602
|
| Drug Bank Link | - |
| ChemSpider Link | 4485766 |
| ChEMBL Link | CHEMBL61119 |
