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Murcko scaffold

Ring system with 5 rings and 22 atoms

5 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
22
Chemicals
5
With full pages
2
Scaffold SMILES

O=C1c2ccccc2CC2c3cc4c(cc3CCN12)OCO4

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=C1c2ccccc2CC2c3cc4c(cc3CCN12)OCO4

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

Gusanlung A chemical structure, C19H17NO5, CAS 139220-06-7
Gusanlung A
CAS 139220-06-7C19H17NO5
Gusanlung B chemical structure, C20H19NO5, CAS 79082-05-6
Gusanlung B
CAS 79082-05-6C20H19NO5
17,18-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylic acid chemical structure, C21H19NO7, CAS 60734-40-9
17,18-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylic acid
CAS 60734-40-9C21H19NO7
Methyl 17,18-dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylate chemical structure, C22H21NO7, CAS 60734-42-1
Methyl 17,18-dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylate
CAS 60734-42-1C22H21NO7
Berberine impurity 39 chemical structure, C20H19NO6, CAS 135024-89-4
Berberine impurity 39
CAS 135024-89-4C20H19NO6