Submission Details
Molecule(s):
c1ccc(CN2CCNCC2)cc1
CC(=O)N1CCC(Cc2ccccc2)CC1
COC(=O)N1CCC(Cc2ccccc2)CC1
O=C(OCc1ccccc1)N1CCC(Cc2ccccc2)CC1
N=C(N)N1CCC(Cc2ccccc2)CC1
COc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1
O=C(Nc1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1
COc1ccc(CNC(=N)N2CCC(Cc3ccccc3)CC2)cc1
O=C(Nc1ccc(F)c(Cl)c1)N1CCC(Cc2ccccc2)CC1
O=C(c1cc[nH]c1)N1CCC(Cc2ccccc2)CC1
O=C(c1cnccn1)N1CCC(Cc2ccccc2)CC1
CC(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1
COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
O=C(c1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1
COc1ccccc1NC(=O)N1CCC(Cc2ccccc2)CC1
CCNC(=N)N1CCC(Cc2ccccc2)CC1
Design Rationale:
This molecules consist benzyl piperidine derivatives and covalent substituents with electron donating or accepting functional groups. These library consists of carbamate, urea, and amide linkage and may be helpful for targeting Mpro. Though it is designed on rational strategies, further studies are needed.