Submission Details

SAD-SAT-689b7d5a
Molecule(s):
CC(C)(C)CC(=O)N(CC(N)=O)Cc1ccccc1NC(=O)Nc1cccnc1

SAD-SAT-689b7d5a-1

CC(C)(C)CC(=O)N(CC(N)=O)Cc1ccccc1NC(=O)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
CC(C)(C)C(CN1CCc2ccccc2C1)NC(=O)Nc1cccnc1

SAD-SAT-689b7d5a-2

CC(C)(C)C(CN1CCc2ccccc2C1)NC(=O)Nc1cccnc1

CC(C)(C)c1cc(N)cc(NC(=O)Nc2cccnc2)c1

SAD-SAT-689b7d5a-3

CC(C)(C)c1cc(N)cc(NC(=O)Nc2cccnc2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C)C(CNC(=O)Nc1cccnc1)Nc1ccccc1

SAD-SAT-689b7d5a-4

CC(C)C(CNC(=O)Nc1cccnc1)Nc1ccccc1

CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Nc1cccnc1

SAD-SAT-689b7d5a-5

CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
CCCc1ccc(C(NC(=O)Nc2cccnc2)C(C)C)cc1

SAD-SAT-689b7d5a-6

CCCc1ccc(C(NC(=O)Nc2cccnc2)C(C)C)cc1

COc1cc(NC(=O)Nc2cccnc2)c(C(=O)N2C(C)CCCC2C)cc1OC

SAD-SAT-689b7d5a-7

COc1cc(NC(=O)Nc2cccnc2)c(C(=O)N2C(C)CCCC2C)cc1OC

3-aminopyridine-like Check Availability on Manifold View
COc1c(NC(=O)Nc2cccnc2)cc(C(C)(C)C)cc1C(C)(C)C

SAD-SAT-689b7d5a-8

COc1c(NC(=O)Nc2cccnc2)cc(C(C)(C)C)cc1C(C)(C)C

3-aminopyridine-like Check Availability on Manifold View
CC1(C)CC(NC(=O)Nc2cccnc2)CC(C)(C)O1

SAD-SAT-689b7d5a-9

CC1(C)CC(NC(=O)Nc2cccnc2)CC(C)(C)O1

3-aminopyridine-like Check Availability on Manifold View
CSCC[C@H](NC(=O)Nc1cccnc1)C(=O)N(C)C

SAD-SAT-689b7d5a-10

CSCC[C@H](NC(=O)Nc1cccnc1)C(=O)N(C)C

Design Rationale:

Compounds taken from https://discuss.postera.ai/t/compound-sets-to-score-for-how-well-they-can-recapitulate-fragment-mergers/1479/5 (x0678 is a placeholder)

Inspired By:
Discussion:

Contributor: Sadit Joarder, SATEC - Fri, 05 Jun 2020 02:03:14 +0000