| General Property |
| Molceule ID (DB) | EGIN0002752 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7e compound |
| IUPAC Name | N-[(2S)-2,3-dihydroxypropyl]-2-[(3-{[(2S)-2,3-dihydroxypropyl]carbamoyl}-1-methyl-1H-indol-2-yl)disulfanyl]-1-methyl-1H-indole-3-carboxamide |
| Formula | C26H30N4O6S2 |
| Mass | 558.67 |
| Exact Mass | 558.1606761 |
| Composition | C (55.9%), H (5.41%), N (10.03%), O (17.18%), S (11.48%) |
| Atom Count | 68 |
| PI | 6.19 |
| Smiles | c1(c(c2c(n1C)cccc2)C(=O)NC[C@H](O)CO)SSc1c(c2c(n1C)cccc2)C(=O)NC[C@H](O)CO |
| InChI | 1S/C26H30N4O6S2/c1-29-19-9-5-3-7-17(19)21(23(35)27-11-15(33)13-31)25(29)37-38-26-22(24(36)28-12-16(3
4)14-32)18-8-4-6-10-20(18)30(26)2/h3-10,15-16,31-34H,11-14H2,1-2H3,(H,27,35)(H,28,36)/t15-,16-/m0/s1 |
| InChIKey | KPBMHVLQNHPHLP-HOTGVXAUSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 8523186 |
| ChEMBL Link | CHEMBL158797 |
