| General Property |
| Molceule ID (DB) | EGIN0002742 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10m compound |
| IUPAC Name | 1-methyl-2-{[1-methyl-3-(phenylcarbamoyl)-5-(trifluoromethyl)-1H-indol-2-yl]disulfanyl}-N-phenyl-5-(trifluoromethyl)-1H-indole-3-carboxamide |
| Formula | C34H24F6N4O2S2 |
| Mass | 698.7 |
| Exact Mass | 698.1244866 |
| Composition | C (58.45%), H (3.46%), F (16.31%), N (8.02%), O (4.58%), S (9.18%) |
| Atom Count | 72 |
| PI | 3.57 |
| Smiles | c1(c(n(c2c1cc(C(F)(F)F)cc2)C)SSc1c(c2c(n1C)ccc(C(F)(F)F)c2)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 |
| InChI | 1S/C34H24F6N4O2S2/c1-43-25-15-13-19(33(35,36)37)17-23(25)27(29(45)41-21-9-5-3-6-10-21)31(43)47-48-32
-28(30(46)42-22-11-7-4-8-12-22)24-18-20(34(38,39)40)14-16-26(24)44(32)2/h3-18H,1-2H3,(H,41,45)(H,42,
46) |
| InChIKey | HSEZITPLLAUQOF-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 | 7837241 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328604
|
| Drug Bank Link | - |
| ChemSpider Link | 4485768 |
| ChEMBL Link | CHEMBL61278 |
