Submission Details
Molecule(s):
JOH-UNI-7e3f498e-1
Duplicate of:
PRA-UNK-83be99b4-1
*c1nc(*)c2ccccc2c1NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21
JOH-UNI-7e3f498e-2
Duplicate of:
PRA-UNK-83be99b4-1
*c1ncc2ccccc2c1NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21
JOH-UNI-7e3f498e-3
Duplicate of:
PRA-UNK-83be99b4-1
*c1ncc(NC(=O)[C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)c2ccccc12
Design Rationale:
AO liabilities can be diminished by deuteration. AO activity is difficult to predict in in vitro assays. CH to CD transformation can be effective as AO oxidises electron poor heterocycles with C−H bond cleavage rds. See ACSMed.Chem.Lett.2022,13,250−256
Other Notes:
I tried to put a C-D bond but not sure how it looks!!!! I selected D but it often came out as R. If so, R=D!