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Murcko scaffold

Ring system with 3 rings and 21 atoms

12 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
12
With full pages
5
Scaffold SMILES

O=C1CC(c2ccccc2)CC=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=C1CC(c2ccccc2)CC=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 12 of 12 chemicals

5-(3,4-Dimethoxyphenyl)-2-{[(4-methylphenyl)amino]methylidene}cyclohexane-1,3-dione chemical structure, C22H23NO4, CAS 428505-01-5
5-(3,4-Dimethoxyphenyl)-2-{[(4-methylphenyl)amino]methylidene}cyclohexane-1,3-dione
CAS 428505-01-5C22H23NO4
2-[(2-Methoxyanilino)methylene]-5-phenylcyclohexane-1,3-dione chemical structure, C20H19NO3, CAS 401837-42-1
2-[(2-Methoxyanilino)methylene]-5-phenylcyclohexane-1,3-dione
CAS 401837-42-1C20H19NO3
2-[(3,5-Dimethylanilino)methylene]-5-phenyl-1,3-cyclohexanedione chemical structure, C21H21NO2, CAS 423744-59-6
2-[(3,5-Dimethylanilino)methylene]-5-phenyl-1,3-cyclohexanedione
CAS 423744-59-6C21H21NO2
5-Phenyl-2-((phenylamino)methylene)cyclohexane-1,3-dione chemical structure, C19H17NO2, CAS 29974-44-5
5-Phenyl-2-((phenylamino)methylene)cyclohexane-1,3-dione
CAS 29974-44-5C19H17NO2
2-{[(4-Acetylphenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione chemical structure, C21H19NO3, CAS 1024250-49-4
2-{[(4-Acetylphenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
CAS 1024250-49-4C21H19NO3
2-[(4-Chloroanilino)methylidene]-5-phenylcyclohexane-1,3-dione chemical structure, C19H16ClNO2, CAS 62370-69-8
2-[(4-Chloroanilino)methylidene]-5-phenylcyclohexane-1,3-dione
CAS 62370-69-8C19H16ClNO2
5-(2-Chlorophenyl)-2-(4-toluidinomethylene)-1,3-cyclohexanedione chemical structure, C20H18ClNO2, CAS 664971-77-1
5-(2-Chlorophenyl)-2-(4-toluidinomethylene)-1,3-cyclohexanedione
CAS 664971-77-1C20H18ClNO2
2-[(4-Bromoanilino)methylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione chemical structure, C20H18BrNO2, CAS 351164-07-3
2-[(4-Bromoanilino)methylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione
CAS 351164-07-3C20H18BrNO2
2-(Anilinomethylidene)-5-(3-chlorophenyl)cyclohexane-1,3-dione chemical structure, C19H16ClNO2, CAS 6125-40-2
2-(Anilinomethylidene)-5-(3-chlorophenyl)cyclohexane-1,3-dione
CAS 6125-40-2C19H16ClNO2
5-(4-Fluorophenyl)-2-{[(4-methylphenyl)amino]methylidene}cyclohexane-1,3-dione chemical structure, C20H18FNO2, CAS 669755-31-1
5-(4-Fluorophenyl)-2-{[(4-methylphenyl)amino]methylidene}cyclohexane-1,3-dione
CAS 669755-31-1C20H18FNO2
2-[(4-Bromoanilino)methylene]-5-(4-methoxyphenyl)-1,3-cyclohexanedione chemical structure, C20H18BrNO3, CAS 351162-70-4
2-[(4-Bromoanilino)methylene]-5-(4-methoxyphenyl)-1,3-cyclohexanedione
CAS 351162-70-4C20H18BrNO3
5-(3,4-Dimethoxyphenyl)-2-{[(2-ethoxyphenyl)amino]methylidene}cyclohexane-1,3-dione chemical structure, C23H25NO5, CAS 374095-79-1
5-(3,4-Dimethoxyphenyl)-2-{[(2-ethoxyphenyl)amino]methylidene}cyclohexane-1,3-dione
CAS 374095-79-1C23H25NO5