Submission Details

JOH-MEM-4bb7e4cc
Molecule(s):
CC(=O)NCCc1c[nH]c2ccc(C#N)cc12

JOH-MEM-4bb7e4cc-1
Duplicate of:
DUN-NEW-f8ce3686-12

CC(=O)NCCc1c[nH]c2ccc(C#N)cc12

Design Rationale:

Substitutes x0104 -F substituent with -CN due to visual inspection of overlapping nitrile spatial orientation in x0305 and x1249 (suggested by Frank von Delft)

Inspired By:
Discussion:

Contributor: John Chodera, Memorial Sloan Kettering Cancer Center - Tue, 24 Mar 2020 02:32:22 +0000