Submission Details
Molecule(s):
Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)SCC(=O)N2
Cc1nn(-c2ccc(Cl)cc2)c2c1C1(CCCCC1)SCC(=O)N2
COc1ccc(-n2nc(C)c3c2NC(=O)CSC32CCCCC2)cc1
Cc1nn(-c2ccc(F)cc2)c2c1C1(CCCCC1)SCC(=O)N2
Design Rationale:
Molecular docking of proposed molecules was done in AutoDock Tools 1.5.6. software; molecules were proposed given the inclusion of sulfur and nitrogen heterocycle, besides the spiro-fussed fragment thinking in a ring closure strategy based in co-crystallized ligand of PDB´s structure 5RED.
Other Notes:
Synthesis reported in: Becerra-Rivas, C; Cuervo-Prado, P; Orozco-Lopez, F. Synthetic Communications 49(3) 367 – 376 (2019). DOI: 10.1080/00397911.2018.1554143