| General Property |
| Molceule ID (DB) | EGIN0002837 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10d compound |
| IUPAC Name | 4-methoxy-2-{[4-methoxy-1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1-methyl-N-phenyl-1H-indole-3-carboxamide |
| Formula | C34H30N4O4S2 |
| Mass | 622.756 |
| Exact Mass | 622.1708468 |
| Composition | C (65.57%), H (4.86%), N (9%), O (10.28%), S (10.3%) |
| Atom Count | 74 |
| PI | 3.52 |
| Smiles | Cn1c(SSc2c(C(=O)Nc3ccccc3)c3c(cccc3n2C)OC)c(C(=O)Nc2ccccc2)c2c(cccc12)OC |
| InChI | 1S/C34H30N4O4S2/c1-37-23-17-11-19-25(41-3)27(23)29(31(39)35-21-13-7-5-8-14-21)33(37)43-44-34-30(32(4
0)36-22-15-9-6-10-16-22)28-24(38(34)2)18-12-20-26(28)42-4/h5-20H,1-4H3,(H,35,39)(H,36,40) |
| InChIKey | MCAHNIWHTWDORH-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 |
5328595
|
| Drug Bank Link | - |
| ChemSpider Link | 4485759 |
| ChEMBL Link | CHEMBL294205 |
