Submission Details
Molecule(s):
O=C(Oc1cncc(Cl)c1)c1cccc2c[nH]cc12
NC(=O)c1cccc(C(=O)Oc2cncc(Cl)c2)c1N
Nc1[nH]cc2c(C(=O)Oc3cncc(Cl)c3)cccc12
NC(O)(O)c1ccccc1C(=O)Oc1cncc(Cl)c1
O=C(Oc1cncc(Cl)c1)c1cccc2sccc12
O=C(Oc1cncc(Cl)c1)c1cccc2c(C(=O)O)[nH]cc12
JON-UIO-314afe9d-7
Duplicate of:
JON-UIO-e1edb2d8-3
O=C(Oc1cncc(Cl)c1)c1cccc(P)c1Cl
NC(O)(O)c1[nH]cc2c(C(=O)Oc3cncc(Cl)c3)cccc12
O=C(Oc1cncc(Cl)c1)c1cccc2c(N=P)[nH]cc12
O=C(Oc1cncc(Cl)c1)c1cccc2c1=CCC=2
NC1=c2cccc(C(=O)Oc3cncc(Cl)c3)c2=CCN1
O=C(Oc1cncc(Cl)c1)c1cccc2c1=CNOC=2
O=C(Oc1cncc(Cl)c1)c1cccc2c1=CC(O)C=2
Design Rationale:
Variation on old SARS inhibitors, through use of a quality-diversity algorithm.
Other Notes:
In collaboration with Jeriek Van den Abeele.