| General Property |
| Molceule ID (DB) | EGIN0002993 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 37 compound |
| IUPAC Name | methyl 4-(2-{[3-(4-methoxy-4-oxobutyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indol-3-yl)butanoate |
| Formula | C28H32N2O4S2 |
| Mass | 524.695 |
| Exact Mass | 524.1803489 |
| Composition | C (64.09%), H (6.15%), N (5.34%), O (12.2%), S (12.22%) |
| Atom Count | 68 |
| PI | No isoelectric point. |
| Smiles | c1(n(c2c(c1CCCC(=O)OC)cccc2)C)SSc1n(c2c(c1CCCC(=O)OC)cccc2)C |
| InChI | 1S/C28H32N2O4S2/c1-29-23-15-7-5-11-19(23)21(13-9-17-25(31)33-3)27(29)35-36-28-22(14-10-18-26(32)34-4
)20-12-6-8-16-24(20)30(28)2/h5-8,11-12,15-16H,9-10,13-14,17-18H2,1-4H3 |
| InChIKey | IOJZVEHURUQVIF-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 | 8355247 |
| 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 |
5328568
|
| Drug Bank Link | - |
| ChemSpider Link | 4485732 |
| ChEMBL Link | CHEMBL419280 |
