General Property |
Molceule ID (DB) | EGIN0002667 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 11e compound |
IUPAC Name | 3-[(3R)-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]propanamide |
Formula | C11H12N2OS |
Mass | 220.291 |
Exact Mass | 220.0670337 |
Composition | C (59.97%), H (5.49%), N (12.72%), O (7.26%), S (14.56%) |
Atom Count | 27 |
PI | 3.73 |
Smiles | c1cccc2c1[C@H](C(=S)N2)CCC(=O)N |
InChI | 1S/C11H12N2OS/c12-10(14)6-5-8-7-3-1-2-4-9(7)13-11(8)15/h1-4,8H,5-6H2,(H2,12,14)(H,13,15)/t8-/m1/s1 |
InChIKey | HNVREGXKMXLVDH-MRVPVSSYSA-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 | 7510340 |
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 | 4485754 |
ChEMBL Link | CHEMBL155607 |