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Murcko scaffold

Ring system with 5 rings and 21 atoms

6 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
6
With full pages
3
Scaffold SMILES

c1ccc2c(c1)CCN1Cc3c(ccc4c3OCO4)CC21

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 c1ccc2c(c1)CCN1Cc3c(ccc4c3OCO4)CC21

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 6 of 6 chemicals

Cavidine chemical structure, C21H23NO4, CAS 32728-75-9
Cavidine
CAS 32728-75-9C21H23NO4
[(12S,13R)-16,17-Dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol chemical structure, C21H23NO5, CAS 78987-02-7
[(12S,13R)-16,17-Dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol
CAS 78987-02-7C21H23NO5
[(12R,13R)-16,17-Dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol chemical structure, C21H23NO5, CAS 78987-04-9
[(12R,13R)-16,17-Dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol
CAS 78987-04-9C21H23NO5
(+-)Thalictrifoline chemical structure, C21H23NO4, CAS 79082-02-3
(+-)Thalictrifoline
CAS 79082-02-3C21H23NO4
(S)-Cheilanthifoline chemical structure, C19H19NO4, CAS 483-44-3
(S)-Cheilanthifoline
CAS 483-44-3C19H19NO4
(±)-Sinactine chemical structure, C20H21NO4, CAS 38853-67-7
(±)-Sinactine
CAS 38853-67-7C20H21NO4