Submission Details

CHO-MSK-a31cca77
Molecule(s):
O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)Nc1nnco1

CHO-MSK-a31cca77-1

O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)Nc1nnco1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cn1cnnc1NC(=O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

CHO-MSK-a31cca77-2

Cn1cnnc1NC(=O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)Nc1nccnn1

CHO-MSK-a31cca77-3

O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)Nc1nccnn1

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)Nc1ncon1

CHO-MSK-a31cca77-4

O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)Nc1ncon1

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

Top scoring FEP compounds for the CCOOH acid intermediate. From EN300-101637 EN300-137456 EN300-20363 EN300-117222

Discussion:

Contributor: Chodera Lab, MSKCC - Wed, 30 Dec 2020 04:21:16 +0000