| General Property |
| Molceule ID (DB) | EGIN0002842 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10i compound |
| IUPAC Name | 2-{[1,5-dimethyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1,5-dimethyl-N-phenyl-1H-indole-3-carboxamide hydrofluoride |
| Formula | C34H31FN4O2S2 |
| Mass | 610.764 |
| Exact Mass | 610.1872458 |
| Composition | C (66.86%), H (5.12%), F (3.11%), N (9.17%), O (5.24%), S (10.5%) |
| Atom Count | 74 |
| PI | 3.66 |
| Smiles | Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(ccc3n2C)C)c(C(=O)Nc2ccccc2)c2cc(ccc12)C.F |
| InChI | 1S/C34H30N4O2S2.FH/c1-21-15-17-27-25(19-21)29(31(39)35-23-11-7-5-8-12-23)33(37(27)3)41-42-34-30(32(4
0)36-24-13-9-6-10-14-24)26-20-22(2)16-18-28(26)38(34)4;/h5-20H,1-4H3,(H,35,39)(H,36,40);1H |
| InChIKey | XWNAGTMACXEKDR-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 | CHEMBL60200 |
