| General Property |
| Molceule ID (DB) | EGIN0002854 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10u compound |
| IUPAC Name | 7-chloro-2-({7-chloro-1-methyl-3-[(phenylamino)methyl]-1H-indol-2-yl}disulfanyl)-1-methyl-N-phenyl-1H-indole-3-carboxamide |
| Formula | C32H26Cl2N4OS2 |
| Mass | 617.611 |
| Exact Mass | 616.0925083 |
| Composition | C (62.23%), H (4.24%), Cl (11.48%), N (9.07%), O (2.59%), S (10.38%) |
| Atom Count | 67 |
| PI | 7.58 |
| Smiles | Cn1c(SSc2c(CNc3ccccc3)c3cccc(c3n2C)Cl)c(C(=O)Nc2ccccc2)c2cccc(c12)Cl |
| InChI | 1S/C32H26Cl2N4OS2/c1-37-28-22(15-9-17-25(28)33)24(19-35-20-11-5-3-6-12-20)31(37)40-41-32-27(30(39)36
-21-13-7-4-8-14-21)23-16-10-18-26(34)29(23)38(32)2/h3-18,35H,19H2,1-2H3,(H,36,39) |
| InChIKey | IYHMHUKLVBZEEB-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 | CHEMBL291667 |
