| General Property |
| Molceule ID (DB) | EGIN0002852 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10s compound |
| IUPAC Name | 2-{[6-(acetyloxy)-1-methyl-3-[(phenylamino)methyl]-1H-indol-2-yl]disulfanyl}-1-methyl-3-(phenylcarbamoyl)-1H-indol-6-yl acetate |
| Formula | C36H32N4O5S2 |
| Mass | 664.793 |
| Exact Mass | 664.1814115 |
| Composition | C (65.04%), H (4.85%), N (8.43%), O (12.03%), S (9.65%) |
| Atom Count | 79 |
| PI | 7.59 |
| Smiles | Cn1c(SSc2c(CNc3ccccc3)c3ccc(cc3n2C)OC(=O)C)c(C(=O)Nc2ccccc2)c2ccc(cc12)OC(=O)C |
| InChI | 1S/C36H32N4O5S2/c1-22(41)44-26-15-17-28-30(21-37-24-11-7-5-8-12-24)35(39(3)31(28)19-26)46-47-36-33(3
4(43)38-25-13-9-6-10-14-25)29-18-16-27(45-23(2)42)20-32(29)40(36)4/h5-20,37H,21H2,1-4H3,(H,38,43) |
| InChIKey | YUEJKFNUWGUBMP-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL64068 |
