Submission Details

JOH-MSK-1f2dff76
Molecule(s):
CNC(=O)CN1Cc2ccc(Cl)cc2[C@]2(CC(=O)N(c3cncc4ccccc34)C2=O)C1

JOH-MSK-1f2dff76-1

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

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

JOH-MSK-1f2dff76-2

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

3-aminopyridine-like Check Availability on Manifold View
O=C1C[C@@]2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

JOH-MSK-1f2dff76-3

O=C1C[C@@]2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C1C[C@]2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

JOH-MSK-1f2dff76-4

O=C1C[C@]2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

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

Chirally-resolved variants of MAT-POS-1bed62cf-3 (which surprisingly haven't been previously submitted) resolved in P2113, and trunction of P3/P4 "dangly bit" 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 00:15:00 +0000