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Murcko scaffold

Ring system with 6 rings and 19 atoms

5 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
19
Chemicals
5
With full pages
2
Scaffold SMILES

C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3

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 C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3

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 5 of 5 chemicals

rel-2-((1R,3R,4''S,5R,5'S,7R)-Dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-yl)acetic acid chemical structure, C18H26O5, CAS 774597-74-9
rel-2-((1R,3R,4''S,5R,5'S,7R)-Dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-yl)acetic acid
CAS 774597-74-9C18H26O5
Arterolane chemical structure, C22H36N2O4, CAS 664338-39-0
Arterolane
CAS 664338-39-0C22H36N2O4
Arterolane p-toluenesulfonic acid chemical structure, C29H44N2O7S, CAS 664338-40-3
Arterolane p-toluenesulfonic acid
CAS 664338-40-3C29H44N2O7S
rel-Methyl 2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-yl)acetate chemical structure, C19H28O5, CAS 774597-73-8
rel-Methyl 2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-yl)acetate
CAS 774597-73-8C19H28O5
Arterolane maleate chemical structure, C26H40N2O8, CAS 959520-73-1
Arterolane maleate
CAS 959520-73-1C26H40N2O8