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Murcko scaffold

Ring system with 3 rings and 16 atoms

16 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
16
With full pages
4
Scaffold SMILES

c1ccc(C2NCCC3CCCCC32)cc1

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 c1ccc(C2NCCC3CCCCC32)cc1

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 16 of 16 chemicals

1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol chemical structure, C18H27NO4, CAS 1164523-31-2
1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
CAS 1164523-31-2C18H27NO4
C18H24Fno3 chemical structure, C18H24FNO3, CAS 1005082-72-3
C18H24Fno3
CAS 1005082-72-3C18H24FNO3
1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol chemical structure, C15H20ClNO, CAS 1212823-73-8
1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol
CAS 1212823-73-8C15H20ClNO
1-Phenyldecahydroisoquinolin-4a-ol chemical structure, C15H21NO, CAS 81562-88-1
1-Phenyldecahydroisoquinolin-4a-ol
CAS 81562-88-1C15H21NO
1-(4-Methoxy-phenyl)-octahydro-isoquinolin-4a-ol chemical structure, C16H23NO2, CAS 81562-91-6
1-(4-Methoxy-phenyl)-octahydro-isoquinolin-4a-ol
CAS 81562-91-6C16H23NO2
1-(4-Bromophenyl)octahydro-4a(2H)-isoquinolinol chemical structure, C15H20BrNO, CAS 345637-76-5
1-(4-Bromophenyl)octahydro-4a(2H)-isoquinolinol
CAS 345637-76-5C15H20BrNO
1-(2,4-Dichlorophenyl)octahydroisoquinolin-4a(2H)-ol chemical structure, C15H19Cl2NO, CAS 345637-78-7
1-(2,4-Dichlorophenyl)octahydroisoquinolin-4a(2H)-ol
CAS 345637-78-7C15H19Cl2NO
1-(4-Fluoro-phenyl)-octahydro-isoquinolin-4a-ol chemical structure, C15H20FNO, CAS 1212079-75-8
1-(4-Fluoro-phenyl)-octahydro-isoquinolin-4a-ol
CAS 1212079-75-8C15H20FNO
Methyl 1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate chemical structure, C21H32N2O3, CAS 1212312-73-6
Methyl 1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate
CAS 1212312-73-6C21H32N2O3
1-(1-(4-Fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one chemical structure, C19H26FNO2, CAS 1008239-51-7
1-(1-(4-Fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one
CAS 1008239-51-7C19H26FNO2
1-[4-(Dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol chemical structure, C17H26N2O, CAS 1005264-43-6
1-[4-(Dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol
CAS 1005264-43-6C17H26N2O
2-[4a-Hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(2-ethylhexyl)acetamide chemical structure, C26H42N2O3, CAS 1005134-63-3
2-[4a-Hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(2-ethylhexyl)acetamide
CAS 1005134-63-3C26H42N2O3
2-(1-(4-Fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide chemical structure, C20H29FN2O2, CAS 1009487-35-7
2-(1-(4-Fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide
CAS 1009487-35-7C20H29FN2O2
(1S,4aS,8aR)-1-(3,4,5-Trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol, chloride chemical structure, C18H28ClNO4, CAS 5115-75-3
(1S,4aS,8aR)-1-(3,4,5-Trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol, chloride
CAS 5115-75-3C18H28ClNO4
4a-Chloro-1-phenyldecahydroisoquinoline hydrochloride chemical structure, C15H21Cl2N, CAS 1051919-46-0
4a-Chloro-1-phenyldecahydroisoquinoline hydrochloride
CAS 1051919-46-0C15H21Cl2N
1-[4-(Dimethylamino)phenyl]octahydro-4a(2H)-isoquinolinol hydrochloride chemical structure, C17H27ClN2O, CAS 1212099-46-1
1-[4-(Dimethylamino)phenyl]octahydro-4a(2H)-isoquinolinol hydrochloride
CAS 1212099-46-1C17H27ClN2O