| General Property |
| Molceule ID (DB) | EGIN0002835 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10b compound |
| IUPAC Name | 4-chloro-2-{[4-chloro-1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1-methyl-N-phenyl-1H-indole-3-carboxamide |
| Formula | C32H24Cl2N4O2S2 |
| Mass | 631.595 |
| Exact Mass | 630.0717728 |
| Composition | C (60.85%), H (3.83%), Cl (11.23%), N (8.87%), O (5.07%), S (10.15%) |
| Atom Count | 66 |
| PI | 3.46 |
| Smiles | Cn1c(SSc2c(C(=O)Nc3ccccc3)c3c(cccc3n2C)Cl)c(C(=O)Nc2ccccc2)c2c(cccc12)Cl |
| InChI | 1S/C32H24Cl2N4O2S2/c1-37-23-17-9-15-21(33)25(23)27(29(39)35-19-11-5-3-6-12-19)31(37)41-42-32-28(30(4
0)36-20-13-7-4-8-14-20)26-22(34)16-10-18-24(26)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40) |
| InChIKey | BLTLMFALRUNXKG-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 |
5328593
|
| Drug Bank Link | - |
| ChemSpider Link | 4485757 |
| ChEMBL Link | CHEMBL293986 |
