| General Property |
| Molceule ID (DB) | EGIN0002648 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10d compound |
| IUPAC Name | 3-(2-nitroethyl)-2-{[3-(2-nitroethyl)-1H-indol-2-yl]disulfanyl}-1H-indole |
| Formula | C20H18N4O4S2 |
| Mass | 442.511 |
| Exact Mass | 442.0769465 |
| Composition | C (54.28%), H (4.1%), N (12.66%), O (14.46%), S (14.49%) |
| Atom Count | 48 |
| PI | No isoelectric point. |
| Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CCN(=O)=O)CCN(=O)=O |
| InChI | 1S/C20H18N4O4S2/c25-23(26)11-9-15-13-5-1-3-7-17(13)21-19(15)29-30-20-16(10-12-24(27)28)14-6-2-4-8-18
(14)22-20/h1-8,21-22H,9-12H2 |
| InChIKey | WFFWDHORGIOMIR-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 | 7510340 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
5328572
|
| Drug Bank Link | - |
| ChemSpider Link | 4485736 |
| ChEMBL Link | CHEMBL158119 |
