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 | ![](./image/EGIN0004357.png) | Structure Backbone | ![](./frame/f_EGIN0004357.png) |
|
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 |