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Murcko scaffold

Ring system with 2 rings and 15 atoms

68 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
15
Chemicals
68
With full pages
20
Scaffold SMILES

O=C1CCCC=C1C=Nc1ccccc1

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=C1CCCC=C1C=Nc1ccccc1

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 48 of 68 chemicals

2-(((3,4-Dimethoxyphenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione chemical structure, C17H21NO4, CAS 5325-56-4
2-(((3,4-Dimethoxyphenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione
CAS 5325-56-4C17H21NO4
5,5-Dimethyl-2-{[(3-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione chemical structure, C15H16N2O4, CAS 64495-92-7
5,5-Dimethyl-2-{[(3-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione
CAS 64495-92-7C15H16N2O4
5-(Isopropyl)-2-(((4-(trifluoromethoxy)phenyl)amino)methylene)cyclohexane-1,3-dione chemical structure, C17H18F3NO3, CAS 1024151-73-2
5-(Isopropyl)-2-(((4-(trifluoromethoxy)phenyl)amino)methylene)cyclohexane-1,3-dione
CAS 1024151-73-2C17H18F3NO3
2-(Anilinomethylene)-5,5-dimethyl-1,3-cyclohexanedione chemical structure, C15H17NO2, CAS 69962-47-6
2-(Anilinomethylene)-5,5-dimethyl-1,3-cyclohexanedione
CAS 69962-47-6C15H17NO2
5,5-Dimethyl-2-((o-tolylamino)methylene)cyclohexane-1,3-dione chemical structure, C16H19NO2, CAS 74102-01-5
5,5-Dimethyl-2-((o-tolylamino)methylene)cyclohexane-1,3-dione
CAS 74102-01-5C16H19NO2
2-(((2-Methoxy-4-nitrophenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione chemical structure, C16H18N2O5, CAS 330215-30-0
2-(((2-Methoxy-4-nitrophenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione
CAS 330215-30-0C16H18N2O5
5-Methyl-2-((phenylamino)methylene)cyclohexane-1,3-dione chemical structure, C14H15NO2, CAS 1023878-44-5
5-Methyl-2-((phenylamino)methylene)cyclohexane-1,3-dione
CAS 1023878-44-5C14H15NO2
2-{[(4-Methoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione chemical structure, C16H19NO3, CAS 62370-46-1
2-{[(4-Methoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
CAS 62370-46-1C16H19NO3
2-[(3,5-Dichlorophenylamino)methylene]-5,5-dimethylcyclohexane-1,3-dione chemical structure, C15H15Cl2NO2, CAS 55118-90-6
2-[(3,5-Dichlorophenylamino)methylene]-5,5-dimethylcyclohexane-1,3-dione
CAS 55118-90-6C15H15Cl2NO2
2-(Anilinomethylidene)cyclohexane-1,3-dione chemical structure, C13H13NO2, CAS 41732-05-2
2-(Anilinomethylidene)cyclohexane-1,3-dione
CAS 41732-05-2C13H13NO2
2-[(2-Fluoroanilino)methylene]-5,5-dimethyl-1,3-cyclohexanedione chemical structure, C15H16FNO2, CAS 370853-51-3
2-[(2-Fluoroanilino)methylene]-5,5-dimethyl-1,3-cyclohexanedione
CAS 370853-51-3C15H16FNO2
(E)-Methyl 5-(((4-methoxyphenyl)amino)methylene)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate chemical structure, C18H21NO5, CAS 331964-99-9
(E)-Methyl 5-(((4-methoxyphenyl)amino)methylene)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
CAS 331964-99-9C18H21NO5
(E)-Methyl 2,2-dimethyl-4,6-dioxo-5-((p-tolylamino)methylene)cyclohexanecarboxylate chemical structure, C18H21NO4, CAS 331965-05-0
(E)-Methyl 2,2-dimethyl-4,6-dioxo-5-((p-tolylamino)methylene)cyclohexanecarboxylate
CAS 331965-05-0C18H21NO4
2-{[(4-Ethoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione chemical structure, C17H21NO3, CAS 228421-28-1
2-{[(4-Ethoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
CAS 228421-28-1C17H21NO3
5,5-Dimethyl-2-(((3-(trifluoromethyl)phenyl)amino)methylene)cyclohexane-1,3-dione chemical structure, C16H16F3NO2, CAS 55118-89-3
5,5-Dimethyl-2-(((3-(trifluoromethyl)phenyl)amino)methylene)cyclohexane-1,3-dione
CAS 55118-89-3C16H16F3NO2
2-[(4-Chloroanilino)methylene]-1,3-cyclohexanedione chemical structure, C13H12ClNO2, CAS 62370-44-9
2-[(4-Chloroanilino)methylene]-1,3-cyclohexanedione
CAS 62370-44-9C13H12ClNO2
5-Ethyl-2-(((4-(trifluoromethoxy)phenyl)amino)methylene)cyclohexane-1,3-dione chemical structure, C16H16F3NO3, CAS 1023822-64-1
5-Ethyl-2-(((4-(trifluoromethoxy)phenyl)amino)methylene)cyclohexane-1,3-dione
CAS 1023822-64-1C16H16F3NO3
2-[(4-Methoxyanilino)methylene]-1,3-cyclohexanedione chemical structure, C14H15NO3, CAS 62370-45-0
2-[(4-Methoxyanilino)methylene]-1,3-cyclohexanedione
CAS 62370-45-0C14H15NO3
2-(((4-(Trifluoromethoxy)phenyl)amino)methylene)cyclohexane-1,3-dione chemical structure, C14H12F3NO3, CAS 1022879-60-2
2-(((4-(Trifluoromethoxy)phenyl)amino)methylene)cyclohexane-1,3-dione
CAS 1022879-60-2C14H12F3NO3
2-(1-((4-(Hydroxymethyl)phenyl)amino)-3-methylbutylidene)-5,5-dimethylcyclohexane-1,3-dione chemical structure, C20H27NO3, CAS 172611-73-3
2-(1-((4-(Hydroxymethyl)phenyl)amino)-3-methylbutylidene)-5,5-dimethylcyclohexane-1,3-dione
CAS 172611-73-3C20H27NO3
2-(((4-Chloro-2-(trifluoromethyl)phenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione chemical structure, C16H15ClF3NO2, CAS 450383-21-8
2-(((4-Chloro-2-(trifluoromethyl)phenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione
CAS 450383-21-8C16H15ClF3NO2
2-[(4-Chloro-2,5-dimethoxyanilino)methylene]-5,5-dimethyl-1,3-cyclohexanedione chemical structure, C17H20ClNO4, CAS 370852-93-0
2-[(4-Chloro-2,5-dimethoxyanilino)methylene]-5,5-dimethyl-1,3-cyclohexanedione
CAS 370852-93-0C17H20ClNO4
2-[(4-Bromoanilino)methylene]-1,3-cyclohexanedione chemical structure, C13H12BrNO2, CAS 341968-26-1
2-[(4-Bromoanilino)methylene]-1,3-cyclohexanedione
CAS 341968-26-1C13H12BrNO2
1,3-Cyclohexanedione, 2-[1-(phenylamino)ethylidene]- chemical structure, C14H15NO2, CAS 62663-75-6
1,3-Cyclohexanedione, 2-[1-(phenylamino)ethylidene]-
CAS 62663-75-6C14H15NO2