| General Property |
| Molceule ID (DB) | EGIN0002855 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10v compound |
| IUPAC Name | 2-({1,7-dimethyl-3-[(phenylamino)methyl]-1H-indol-2-yl}disulfanyl)-1,7-dimethyl-N-phenyl-1H-indole-3-carboxamide |
| Formula | C34H32N4OS2 |
| Mass | 576.774 |
| Exact Mass | 576.201753 |
| Composition | C (70.8%), H (5.59%), N (9.71%), O (2.77%), S (11.12%) |
| Atom Count | 73 |
| PI | 7.63 |
| Smiles | Cn1c(SSc2c(CNc3ccccc3)c3cccc(c3n2C)C)c(C(=O)Nc2ccccc2)c2cccc(c12)C |
| InChI | 1S/C34H32N4OS2/c1-22-13-11-19-26-28(21-35-24-15-7-5-8-16-24)33(37(3)30(22)26)40-41-34-29(32(39)36-25
-17-9-6-10-18-25)27-20-12-14-23(2)31(27)38(34)4/h5-20,35H,21H2,1-4H3,(H,36,39) |
| InChIKey | UIOMRZZVGWDEFH-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 | CHEMBL64165 |
