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Murcko scaffold

Ring system with 5 rings and 27 atoms

4 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
27
Chemicals
4
With full pages
1
Scaffold SMILES

O=S1CCc2nc(N3CCC(c4ncccn4)CC3)nc(NC3CCC3)c21

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=S1CCc2nc(N3CCC(c4ncccn4)CC3)nc(NC3CCC3)c21

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 4 of 4 chemicals

Example 2 [WO2013026797A1] chemical structure, C20H25ClN6O2S, CAS 1423719-27-0
Example 2 [WO2013026797A1]
CAS 1423719-27-0C20H25ClN6O2S
BI 1015550 chemical structure, C20H25ClN6O2S, CAS 1423719-30-5
BI 1015550
CAS 1423719-30-5C20H25ClN6O2S
Nerandomilast, (S)- chemical structure, C20H25ClN6O2S, CAS 1423719-31-6
Nerandomilast, (S)-
CAS 1423719-31-6C20H25ClN6O2S
(R)-4-((1-(Hydroxymethyl)cyclobutyl)amino)-2-(4-(5-hydroxypyrimidin-2-yl)piperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide chemical structure, C20H26N6O3S, CAS 3075021-81-4
(R)-4-((1-(Hydroxymethyl)cyclobutyl)amino)-2-(4-(5-hydroxypyrimidin-2-yl)piperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
CAS 3075021-81-4C20H26N6O3S