Submission Details

BEN-BAS-c2bc0d80
Molecule(s):
O=C(Nc1cncc2ccccc12)C1CC=Nc2ccc(Cl)cc21

BEN-BAS-c2bc0d80-1

O=C(Nc1cncc2ccccc12)C1CC=Nc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1OC=Nc2ccc(Cl)cc21

BEN-BAS-c2bc0d80-2

O=C(Nc1cncc2ccccc12)C1OC=Nc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C1N(c2cncc3ccccc23)NCC12CCOc1ccc(Cl)cc12

BEN-BAS-c2bc0d80-3

O=C1N(c2cncc3ccccc23)NCC12CCOc1ccc(Cl)cc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CC=Nc2c1[nH]c(Cl)cc2=O

BEN-BAS-c2bc0d80-4

O=C(Nc1cncc2ccccc12)C1CC=Nc2c1[nH]c(Cl)cc2=O

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CCOc2c1[nH]c(Cl)cc2=O

BEN-BAS-c2bc0d80-5

O=C(Nc1cncc2ccccc12)C1CCOc2c1[nH]c(Cl)cc2=O

3-aminopyridine-like Check Availability on Manifold View
O=C1CC2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

BEN-BAS-c2bc0d80-6

O=C1CC2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

3-aminopyridine-like Assayed Check Availability on Manifold View
CN1C(=O)N(c2cncc3ccccc23)C(=O)C12CCOc1ccc(Cl)cc12

BEN-BAS-c2bc0d80-7

CN1C(=O)N(c2cncc3ccccc23)C(=O)C12CCOc1ccc(Cl)cc12

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

3D Modeling (MOE). Decreasing conformational strain and rotatable bonds while increasing H-bonding potential.

Inspired By:
Discussion:

Contributor: Benjamin Merget, BASF SE - Fri, 30 Oct 2020 10:50:51 +0000