| General Property |
| Molceule ID (DB) | EGIN0002777 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 9j compound |
| IUPAC Name | 1-[3-(dimethylamino)propyl]-2-({1-[3-(dimethylamino)propyl]-3-(phenylcarbamoyl)-1H-indol-2-yl}disulfanyl)-N-phenyl-1H-indole-3-carboxamide |
| Formula | C40H44N6O2S2 |
| Mass | 704.946 |
| Exact Mass | 704.2967161 |
| Composition | C (68.15%), H (6.29%), N (11.92%), O (4.54%), S (9.1%) |
| Atom Count | 94 |
| PI | 10.5 |
| Smiles | c1(c(C(=O)Nc2ccccc2)c2c(n1CCCN(C)C)cccc2)SSc1c(C(=O)Nc2ccccc2)c2c(n1CCCN(C)C)cccc2 |
| InChI | 1S/C40H44N6O2S2/c1-43(2)25-15-27-45-33-23-13-11-21-31(33)35(37(47)41-29-17-7-5-8-18-29)39(45)49-50-4
0-36(38(48)42-30-19-9-6-10-20-30)32-22-12-14-24-34(32)46(40)28-16-26-44(3)4/h5-14,17-24H,15-16,25-28
H2,1-4H3,(H,41,47)(H,42,48) |
| InChIKey | ZEORRTRJLYLQMY-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 | 7837241 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
10395010
|
| Drug Bank Link | - |
| ChemSpider Link | 8570451 |
| ChEMBL Link | CHEMBL350699 |
