Submission Details

VLA-UNK-9a7dc93f
Molecule(s):
O=C(Cc1cc(F)c(F)c(Cl)c1)Nc1cncc2ccccc12

VLA-UNK-9a7dc93f-1

O=C(Cc1cc(F)c(F)c(Cl)c1)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
N#Cc1cc(CC(=O)Nc2cncc3ccccc23)cc(F)c1F

VLA-UNK-9a7dc93f-2

N#Cc1cc(CC(=O)Nc2cncc3ccccc23)cc(F)c1F

3-aminopyridine-like Check Availability on Manifold View
O=C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)c(F)c(F)c2N1

VLA-UNK-9a7dc93f-3

O=C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)c(F)c(F)c2N1

3-aminopyridine-like Check Availability on Manifold View
N#Cc1cc2c(c(F)c1F)OCCC2C(=O)Nc1cncc2ccccc12

VLA-UNK-9a7dc93f-4

N#Cc1cc2c(c(F)c1F)OCCC2C(=O)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
COC(C(=O)Nc1cncc2ccccc12)c1cc(F)c(F)c(Cl)c1

VLA-UNK-9a7dc93f-5

COC(C(=O)Nc1cncc2ccccc12)c1cc(F)c(F)c(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
COC(C(=O)Nc1cncc2ccccc12)c1ccc(F)c(Cl)c1

VLA-UNK-9a7dc93f-6

COC(C(=O)Nc1cncc2ccccc12)c1ccc(F)c(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
COC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

VLA-UNK-9a7dc93f-7

COC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

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

Best combinations of benzene ring decorations based on 1 step reactions for open chain. These include open chain suggestions based on EDG-MED-0e5afe9d-3. Two cyclized versions proposed based on Manifold scan when achievable in two steps.

Inspired By:
Discussion:

Contributor: Vladimiras Oleinikovas - Wed, 27 Jan 2021 13:36:17 +0000