| General Property |
| Molceule ID (DB) | EGIN0002980 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | methyl 2-(2-{[3-(2-methoxy-2-oxoethyl)-1-methyl-1H-indol-2-yl]sulfanyl}-1-methyl-1H-indol-3-yl)acetate |
| Formula | C24H24N2O4S |
| Mass | 436.523 |
| Exact Mass | 436.145678 |
| Composition | C (66.03%), H (5.54%), N (6.42%), O (14.66%), S (7.35%) |
| Atom Count | 55 |
| PI | No isoelectric point. |
| Smiles | c1(c(c2c(n1C)cccc2)CC(=O)OC)Sc1c(c2c(n1C)cccc2)CC(=O)OC |
| InChI | 1S/C24H24N2O4S/c1-25-19-11-7-5-9-15(19)17(13-21(27)29-3)23(25)31-24-18(14-22(28)30-4)16-10-6-8-12-20
(16)26(24)2/h5-12H,13-14H2,1-4H3 |
| InChIKey | CMDIHELBUWPKKZ-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 |
5328555
|
| Drug Bank Link | - |
| ChemSpider Link | 4485719 |
| ChEMBL Link | CHEMBL311811 |
