| General Property |
| Molceule ID (DB) | EGIN0002841 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10h compound |
| IUPAC Name | 5-bromo-2-{[5-bromo-1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1-methyl-N-phenyl-1H-indole-3-carboxamide hydrofluoride |
| Formula | C32H25Br2FN4O2S2 |
| Mass | 740.503 |
| Exact Mass | 737.9769709 |
| Composition | C (51.9%), H (3.4%), Br (21.58%), F (2.57%), N (7.57%), O (4.32%), S (8.66%) |
| Atom Count | 68 |
| PI | 3.57 |
| Smiles | Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(ccc3n2C)Br)c(C(=O)Nc2ccccc2)c2cc(ccc12)Br.F |
| InChI | 1S/C32H24Br2N4O2S2.FH/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(3
0(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);1H |
| InChIKey | VPYLNFRUKVEMHA-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 | CHEMBL293251 |
