Submission Details

MAK-UNK-009ebe36
Molecule(s):
O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccnc1

MAK-UNK-009ebe36-1

O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccnc1

CN1CCN(S(=O)(=O)c2cccc(NC(=O)Nc3cccnc3)c2)CC1

MAK-UNK-009ebe36-2

CN1CCN(S(=O)(=O)c2cccc(NC(=O)Nc3cccnc3)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccnc3)CC2)cc1

MAK-UNK-009ebe36-3

Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccnc3)CC2)cc1

3-aminopyridine-like Check Availability on Manifold View
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccnc1

MAK-UNK-009ebe36-4

O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccnc1

O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccnc1

MAK-UNK-009ebe36-5

O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccnc1

O=C(Nc1cccnc1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1

MAK-UNK-009ebe36-6

O=C(Nc1cccnc1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1

3-aminopyridine-like Check Availability on Manifold View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cccnc1

MAK-UNK-009ebe36-7

O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cccnc1

O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1cccnc1

MAK-UNK-009ebe36-8

O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1cccnc1

O=C(Nc1cccnc1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1

MAK-UNK-009ebe36-9

O=C(Nc1cccnc1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccnc1)NC1CCN(Cc2ccsc2)CC1

MAK-UNK-009ebe36-10

O=C(Nc1cccnc1)NC1CCN(Cc2ccsc2)CC1

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

top 10 (out of ~14K) pyridine_urea "magic merges" from https://discuss.postera.ai/t/compound-sets-to-score-for-how-well-they-can-recapitulate-fragment-mergers/1479/5 sorted by fragment % on https://molmatinf.com/covid19/

Inspired By:
Discussion:

Contributor: Maksym Voznyy - Wed, 03 Jun 2020 22:06:59 +0000