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Murcko scaffold

Ring system with 3 rings and 17 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
7
With full pages
3
Scaffold SMILES

C(=C1NCCc2ccccc21)c1ccccc1

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 C(=C1NCCc2ccccc21)c1ccccc1

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 7 of 7 chemicals

Drotaverine chemical structure, C24H31NO4, CAS 14009-24-6
Drotaverine
CAS 14009-24-6C24H31NO4
(1Z)-3,4-Dihydro-1-((2-hydroxy-3,4-dimethoxyphenyl)methylene)-6,7-dimethoxy-2(1H)-isoquinolinecarboxaldehyde chemical structure, C21H23NO6, CAS 63490-92-6
(1Z)-3,4-Dihydro-1-((2-hydroxy-3,4-dimethoxyphenyl)methylene)-6,7-dimethoxy-2(1H)-isoquinolinecarboxaldehyde
CAS 63490-92-6C21H23NO6
1-[(1E)-1-[(3,4-Dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl]ethanone chemical structure, C22H25NO5, CAS 2129-59-1
1-[(1E)-1-[(3,4-Dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl]ethanone
CAS 2129-59-1C22H25NO5
Drotaverine hydrochloride chemical structure, C24H32ClNO4, CAS 985-12-6
Drotaverine hydrochloride
CAS 985-12-6C24H32ClNO4
Pencardin chemical structure, C57H80ClN13O15, CAS 80186-95-4
Pencardin
CAS 80186-95-4C57H80ClN13O15
1-Benzylidene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline chemical structure, C18H19NO2, CAS 823234-53-3
1-Benzylidene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CAS 823234-53-3C18H19NO2
Caffeine mixture with drotaverine hydrochloride and methamizole sodium chemical structure, C45H58ClN8NaO10S, CAS 62201-28-9
Caffeine mixture with drotaverine hydrochloride and methamizole sodium
CAS 62201-28-9C45H58ClN8NaO10S