Submission Details

JOH-MSK-51c67e7d
Molecule(s):
CN1Cc2ccc(Cl)cc2[C@]2(CC(=O)N(c3cncc4ccccc34)C2=O)C1

JOH-MSK-51c67e7d-1

CN1Cc2ccc(Cl)cc2[C@]2(CC(=O)N(c3cncc4ccccc34)C2=O)C1

3-aminopyridine-like Check Availability on Manifold View
CN1Cc2ccc(Cl)cc2[C@@]2(CC(=O)N(c3cncc4ccccc34)C2=O)C1

JOH-MSK-51c67e7d-2

CN1Cc2ccc(Cl)cc2[C@@]2(CC(=O)N(c3cncc4ccccc34)C2=O)C1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

Truncated, chirally-resolved variants of MAT-POS-1bed62cf-3 resolved in P2113 to facilitate setup of alchemical free energy calculations. These are not intended to be proposals for synthesis.

Inspired By:
Discussion:

Contributor: John Chodera, MSKCC - Mon, 27 Dec 2021 01:58:47 +0000