| General Property |
| Molceule ID (DB) | EGIN0002850 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10q compound |
| IUPAC Name | 2-({1,6-dimethyl-3-[(phenylamino)methyl]-1H-indol-2-yl}disulfanyl)-1,6-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 | 7.59 |
| Smiles | Cn1c(SSc2c(CNc3ccccc3)c3ccc(cc3n2C)C)c(C(=O)Nc2ccccc2)c2ccc(cc12)C |
| InChI | 1S/C34H32N4OS2/c1-22-15-17-26-28(21-35-24-11-7-5-8-12-24)33(37(3)29(26)19-22)40-41-34-31(32(39)36-25
-13-9-6-10-14-25)27-18-16-23(2)20-30(27)38(34)4/h5-20,35H,21H2,1-4H3,(H,36,39) |
| InChIKey | HYQWMLHATAISEJ-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 | CHEMBL64459 |
