Submission Details

JOH-MSK-4bb3d434
Molecule(s):
COC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

JOH-MSK-4bb3d434-1

COC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

3-aminopyridine-like Check Availability on Manifold View
COC(=O)CN1CC2(CC(=O)N(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

JOH-MSK-4bb3d434-2
Duplicate of:
PET-UNK-77d5678a-6

COC(=O)CN1CC2(CC(=O)N(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

Duplicate 3-aminopyridine-like Check Availability on Manifold View
COC(=O)CN1CC2(NC(=O)N(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

JOH-MSK-4bb3d434-3

COC(=O)CN1CC2(NC(=O)N(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

3-aminopyridine-like Check Availability on Manifold View
COC(=O)CN1CC2(CN(c3cncc4ccccc34)C(=O)N2)c2cc(Cl)ccc2C1=O

JOH-MSK-4bb3d434-4

COC(=O)CN1CC2(CN(c3cncc4ccccc34)C(=O)N2)c2cc(Cl)ccc2C1=O

COC(=O)CN1CC2(CC(=O)N(c3cncc4ccccc34)C2)c2cc(Cl)ccc2C1=O

JOH-MSK-4bb3d434-5

COC(=O)CN1CC2(CC(=O)N(c3cncc4ccccc34)C2)c2cc(Cl)ccc2C1=O

Design Rationale:

Spirocyclic analogues of PET-UNK-c7ac4d9e-1 for inclusion in Folding@home Sprint 12 prioritization

Discussion:

Contributor: John Chodera, MSKCC - Thu, 20 Jan 2022 22:03:18 +0000