General Property |
Molceule ID (DB) | EGIN0002780 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 10w compound |
IUPAC Name | (1S,3R)-1-benzoyl-3-methyl-2,3-dihydro-1H-indene-2-thione |
Formula | C17H14OS |
Mass | 266.357 |
Exact Mass | 266.0765358 |
Composition | C (76.66%), H (5.3%), O (6.01%), S (12.04%) |
Atom Count | 33 |
PI | No isoelectric point. |
Smiles | c1cccc2c1[C@H](C(=S)[C@@H]2C)C(=O)c1ccccc1 |
InChI | 1S/C17H14OS/c1-11-13-9-5-6-10-14(13)15(17(11)19)16(18)12-7-3-2-4-8-12/h2-11,15H,1H3/t11-,15+/m1/s1 |
InChIKey | HWYXCENVUVJNGF-ABAIWWIYSA-N |
2D Structure | | Structure Backbone | |
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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 | - |
ChEMBL Link | - |