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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
0
Scaffold SMILES

O=C1CCc2cccc(c2)-c2ccccc2C2CC(CC3CCCCN32)O1

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=C1CCc2cccc(c2)-c2ccccc2C2CC(CC3CCCCN32)O1

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

(1S,17S,19S)-9-Hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one chemical structure, C26H31NO5, CAS 10183-64-9
(1S,17S,19S)-9-Hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
CAS 10183-64-9C26H31NO5
Dihydrolyfoline chemical structure, C25H29NO5, CAS 30388-73-9
Dihydrolyfoline
CAS 30388-73-9C25H29NO5
Lythridine chemical structure, C26H31NO6, CAS 15299-77-1
Lythridine
CAS 15299-77-1C26H31NO6
(1S,17S,19R)-9-Hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one chemical structure, C26H31NO5, CAS 10247-53-7
(1S,17S,19R)-9-Hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
CAS 10247-53-7C26H31NO5