| General Property |
| Molceule ID (DB) | EGIN0002847 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10n compound |
| IUPAC Name | 5-cyano-2-({5-cyano-1-methyl-3-[(phenylamino)methyl]-1H-indol-2-yl}disulfanyl)-1-methyl-N-phenyl-1H-indole-3-carboxamide |
| Formula | C34H26N6OS2 |
| Mass | 598.74 |
| Exact Mass | 598.1609509 |
| Composition | C (68.2%), H (4.38%), N (14.04%), O (2.67%), S (10.71%) |
| Atom Count | 69 |
| PI | 7.53 |
| Smiles | Cn1c(SSc2c(CNc3ccccc3)c3cc(ccc3n2C)C#N)c(C(=O)Nc2ccccc2)c2cc(ccc12)C#N |
| InChI | 1S/C34H26N6OS2/c1-39-29-15-13-22(19-35)17-26(29)28(21-37-24-9-5-3-6-10-24)33(39)42-43-34-31(32(41)38
-25-11-7-4-8-12-25)27-18-23(20-36)14-16-30(27)40(34)2/h3-18,37H,21H2,1-2H3,(H,38,41) |
| InChIKey | QMJZOQGUNNXBJG-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 | CHEMBL291979 |
