| General Property |
| Molceule ID (DB) | EGIN0004357 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 9z compound |
| IUPAC Name | (3S)-1-methyl-N-phenyl-2-sulfanylidene-1H,2H,3H-pyrrolo[2,3-b]pyridine-3-carboxamide |
| Formula | C15H13N3OS |
| Mass | 283.348 |
| Exact Mass | 283.0779327 |
| Composition | C (63.58%), H (4.62%), N (14.83%), O (5.65%), S (11.32%) |
| Atom Count | 33 |
| PI | 4.48 |
| Smiles | C1(=S)N(c2c([C@H]1C(=O)Nc1ccccc1)cccn2)C |
| InChI | 1S/C15H13N3OS/c1-18-13-11(8-5-9-16-13)12(15(18)20)14(19)17-10-6-3-2-4-7-10/h2-9,12H,1H3,(H,17,19)/t1
2-/m0/s1 |
| InChIKey | XSWFYMGWWIUBBO-LBPRGKRZSA-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 | |
| Pub Chem Link |
5328620
|
| Drug Bank Link | - |
| ChemSpider Link | 4485784 |
| ChEMBL Link | CHEMBL62699 |
