| General Property |
| Molceule ID (DB) | EGIN0002849 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10p compound |
| IUPAC Name | 6-chloro-2-({6-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)c3ccc(cc3n2C)Cl)c(C(=O)Nc2ccccc2)c2ccc(cc12)Cl |
| InChI | 1S/C32H26Cl2N4OS2/c1-37-27-17-20(33)13-15-24(27)26(19-35-22-9-5-3-6-10-22)31(37)40-41-32-29(30(39)36
-23-11-7-4-8-12-23)25-16-14-21(34)18-28(25)38(32)2/h3-18,35H,19H2,1-2H3,(H,36,39) |
| InChIKey | XKXVADWMXSGNBG-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL303127 |
