Submission Details

SAD-SAT-f25ee457
Molecule(s):
O=C(Cn1cccn1)N1CCO[C@@H](CNCc2cccc(F)c2)C1

SAD-SAT-f25ee457-1

O=C(Cn1cccn1)N1CCO[C@@H](CNCc2cccc(F)c2)C1

N#Cc1ccc(CNC(=O)N2CCOCC2)c2cc(S(N)(=O)=O)ccc12

SAD-SAT-f25ee457-2

N#Cc1ccc(CNC(=O)N2CCOCC2)c2cc(S(N)(=O)=O)ccc12

N#Cc1ccc(CNC(=O)N2CCOCC2)c(CC(=O)Nc2cccnc2)c1

SAD-SAT-f25ee457-3

N#Cc1ccc(CNC(=O)N2CCOCC2)c(CC(=O)Nc2cccnc2)c1

3-aminopyridine-like Check Availability on Manifold View
N#Cc1ccc(CNC(=O)N2CCOCC2)c(CN2CCC(O)CC2)c1

SAD-SAT-f25ee457-4

N#Cc1ccc(CNC(=O)N2CCOCC2)c(CN2CCC(O)CC2)c1

O=C(Cc1c[nH]c2ncccc12)N1CCN2CCC2C1

SAD-SAT-f25ee457-5

O=C(Cc1c[nH]c2ncccc12)N1CCN2CCC2C1

CC1CN2Cc3ccc(S(N)(=O)=O)c(c32)N1C(=O)Cc1c[nH]c2ncccc12

SAD-SAT-f25ee457-6

CC1CN2Cc3ccc(S(N)(=O)=O)c(c32)N1C(=O)Cc1c[nH]c2ncccc12

3-aminopyridine-like Check Availability on Manifold View
Cc1c(NC(=O)Nc2cccnc2)ccc2ccc(S(N)(=O)=O)cc12

SAD-SAT-f25ee457-7

Cc1c(NC(=O)Nc2cccnc2)ccc2ccc(S(N)(=O)=O)cc12

3-aminopyridine-like Check Availability on Manifold View
NS(=O)(=O)c1ccc2ccc(NC(=O)Nc3cccnc3)cc2c1

SAD-SAT-f25ee457-8

NS(=O)(=O)c1ccc2ccc(NC(=O)Nc3cccnc3)cc2c1

3-aminopyridine-like Check Availability on Manifold View
Cc1nnc(Cc2cc(C#N)ccc2CNC(=O)N2CCOCC2)s1

SAD-SAT-f25ee457-9

Cc1nnc(Cc2cc(C#N)ccc2CNC(=O)N2CCOCC2)s1

CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(N2CCC(O)CC2)C1

SAD-SAT-f25ee457-10

CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(N2CCC(O)CC2)C1

Design Rationale:

Compounds taken from https://discuss.postera.ai/t/fragmenstein-merging/1461/7 and filtered through Alex M. Clark's predictor at https://molmatinf.com/covid19 (x0395 is a placeholder)

Inspired By:
Discussion:

Contributor: Sadit Joarder, SATEC - Sat, 06 Jun 2020 01:28:44 +0000