| General Property |
| Molceule ID (DB) | EGIN0002860 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 9a compound |
| IUPAC Name | (3S)-1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide |
| Formula | C16H14N2OS |
| Mass | 282.36 |
| Exact Mass | 282.0826838 |
| Composition | C (68.06%), H (5%), N (9.92%), O (5.67%), S (11.36%) |
| Atom Count | 34 |
| PI | 1.47 |
| Smiles | C1(=S)[C@H](C(=O)Nc2ccccc2)c2c(N1C)cccc2 |
| InChI | 1S/C16H14N2OS/c1-18-13-10-6-5-9-12(13)14(16(18)20)15(19)17-11-7-3-2-4-8-11/h2-10,14H,1H3,(H,17,19)/t
14-/m0/s1 |
| InChIKey | PMQPQXPWWRMDGF-AWEZNQCLSA-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 | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4485782 |
| ChEMBL Link | CHEMBL62176 |
