Submission Details
Molecule(s):
RYA-MOD-343ecd80-1
Duplicate of:
GIA-UNK-b9c616ea-2
Clc1cncc(OCc2cccc3[nH]ccc23)c1
O=C(Oc1cnnc(Cl)c1)c1cccc2[nH]ccc12
O=C(Oc1cc(Cl)cc2[nH]ncc12)c1cccc2[nH]ccc12
Clc1cc(OCc2cccc3[nH]ccc23)c2cn[nH]c2c1
Fc1cc(F)c(Cc2cc(N3CCn4c(nnc4C(F)(F)F)C3)ncn2)cc1F
FC(F)(F)c1nnc2n1CCN(Cc1cccc3[nH]ccc13)C2
Clc1cc(Oc2cccc3[nH]ccc23)cc2occc12
O=C1N=Cc2c(Cl)cc(Oc3cccc4[nH]ccc34)cc21
Design Rationale:
Designs in attempt to attenuate local HBD/A and pi-pi interactions based off fragalysis structures.
Other Notes:
https://fragalysis.diamond.ac.uk/viewer/react/preview/target/Mpro