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Murcko scaffold

Ring system with 5 rings and 21 atoms

3 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
3
With full pages
1
Scaffold SMILES

C1=C2CCC3C4CCCC4CCC3C2CCC12SCCS2

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 C1=C2CCC3C4CCCC4CCC3C2CCC12SCCS2

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 3 of 3 chemicals

10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dithiolane] chemical structure, C29H48S2, CAS 2791-51-7
10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dithiolane]
CAS 2791-51-7C29H48S2
Estr-4-en-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl dithioacetal, (11beta)- chemical structure, C20H30OS2, CAS 74531-93-4
Estr-4-en-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl dithioacetal, (11beta)-
CAS 74531-93-4C20H30OS2
19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl dithioacetal, (17alpha)- chemical structure, C22H30OS2, CAS 1172576-96-3
19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl dithioacetal, (17alpha)-
CAS 1172576-96-3C22H30OS2