| General Property |
| Molceule ID (DB) | EGIN0002839 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10f compound |
| IUPAC Name | 5-fluoro-2-{[5-fluoro-1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1-methyl-N-phenyl-1H-indole-3-carboxamide |
| Formula | C32H24F2N4O2S2 |
| Mass | 598.685 |
| Exact Mass | 598.1308738 |
| Composition | C (64.2%), H (4.04%), F (6.35%), N (9.36%), O (5.34%), S (10.71%) |
| Atom Count | 66 |
| PI | 3.64 |
| Smiles | Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(ccc3n2C)F)c(C(=O)Nc2ccccc2)c2cc(ccc12)F |
| InChI | 1S/C32H24F2N4O2S2/c1-37-25-15-13-19(33)17-23(25)27(29(39)35-21-9-5-3-6-10-21)31(37)41-42-32-28(30(40
)36-22-11-7-4-8-12-22)24-18-20(34)14-16-26(24)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40) |
| InChIKey | YPMYGRXQSAAYHQ-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 |
5328597
|
| Drug Bank Link | - |
| ChemSpider Link | 4485761 |
| ChEMBL Link | CHEMBL63455 |
