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Murcko scaffold

Ring system with 3 rings and 17 atoms

173 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
173
With full pages
20
Scaffold SMILES

O=c1c2ccccc2ccn1-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 O=c1c2ccccc2ccn1-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 48 of 173 chemicals

(4E)-2-(4-Methoxyphenyl)-4-(methylaminomethylidene)isoquinoline-1,3-dione chemical structure, C18H16N2O3, CAS 376610-57-0
(4E)-2-(4-Methoxyphenyl)-4-(methylaminomethylidene)isoquinoline-1,3-dione
CAS 376610-57-0C18H16N2O3
3-Amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile chemical structure, C17H12N4O4, CAS 130651-67-1
3-Amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile
CAS 130651-67-1C17H12N4O4
1-Oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylic acid chemical structure, C16H11NO3, CAS 78364-18-8
1-Oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylic acid
CAS 78364-18-8C16H11NO3
Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate chemical structure, C17H13NO3, CAS 73349-64-1
Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate
CAS 73349-64-1C17H13NO3
2-(4-Chlorophenyl)-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide chemical structure, C18H15ClN2O2, CAS 477850-74-1
2-(4-Chlorophenyl)-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
CAS 477850-74-1C18H15ClN2O2
N-Methyl-1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxamide chemical structure, C17H14N2O2, CAS 477850-76-3
N-Methyl-1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxamide
CAS 477850-76-3C17H14N2O2
2-(4-Chlorophenyl)-N-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide chemical structure, C17H13ClN2O2, CAS 477850-78-5
2-(4-Chlorophenyl)-N-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
CAS 477850-78-5C17H13ClN2O2
N,N-Dimethyl-1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxamide chemical structure, C18H16N2O2, CAS 477850-80-9
N,N-Dimethyl-1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxamide
CAS 477850-80-9C18H16N2O2
(4E)-4-[(2-Hydroxyethylamino)methylidene]-2-phenylisoquinoline-1,3-dione chemical structure, C18H16N2O3, CAS 1164522-21-7
(4E)-4-[(2-Hydroxyethylamino)methylidene]-2-phenylisoquinoline-1,3-dione
CAS 1164522-21-7C18H16N2O3
2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid chemical structure, C17H13NO4, CAS 133096-36-3
2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CAS 133096-36-3C17H13NO4
3-Amino-4-cyano-7-nitro-2-phenyl-1(2H)-isoquinolinone chemical structure, C16H10N4O3, CAS 130651-65-9
3-Amino-4-cyano-7-nitro-2-phenyl-1(2H)-isoquinolinone
CAS 130651-65-9C16H10N4O3
2-(4-Chlorophenyl)-1,2-dihydro-1-oxo-4-isoquinolinecarboxylic acid chemical structure, C16H10ClNO3, CAS 78364-19-9
2-(4-Chlorophenyl)-1,2-dihydro-1-oxo-4-isoquinolinecarboxylic acid
CAS 78364-19-9C16H10ClNO3
Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate chemical structure, C17H12ClNO3, CAS 446276-02-4
Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
CAS 446276-02-4C17H12ClNO3
2-(3-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid chemical structure, C17H13NO4, CAS 439141-05-6
2-(3-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CAS 439141-05-6C17H13NO4
Methyl 2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate chemical structure, C17H12FNO3, CAS 339106-79-5
Methyl 2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
CAS 339106-79-5C17H12FNO3
2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid chemical structure, C16H10FNO3, CAS 339106-83-1
2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CAS 339106-83-1C16H10FNO3
4-[[(1-Methylpropyl)amino]methylene]-2-[2-(trifluoromethyl)phenyl]-1,3(2H,4H)-isoquinolinedione chemical structure, C21H19F3N2O2, CAS 326024-06-0
4-[[(1-Methylpropyl)amino]methylene]-2-[2-(trifluoromethyl)phenyl]-1,3(2H,4H)-isoquinolinedione
CAS 326024-06-0C21H19F3N2O2
2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide chemical structure, C16H11FN2O2, CAS 339106-93-3
2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
CAS 339106-93-3C16H11FN2O2
N-[(Dimethylamino)methylene]-2-(4-fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide chemical structure, C19H16FN3O2, CAS 339106-95-5
N-[(Dimethylamino)methylene]-2-(4-fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
CAS 339106-95-5C19H16FN3O2
(E)-4-((Isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione chemical structure, C21H22N2O2, CAS 1164557-74-7
(E)-4-((Isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione
CAS 1164557-74-7C21H22N2O2
2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium chemical structure, C26H34N3O5+, CAS 6827-93-6
2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium
CAS 6827-93-6C26H34N3O5+
7-(Allyloxy)-3-methyl-2-phenylisoquinolin-1(2H)-one chemical structure, C19H17NO2, CAS 146791-00-6
7-(Allyloxy)-3-methyl-2-phenylisoquinolin-1(2H)-one
CAS 146791-00-6C19H17NO2
3-Methyl-2-phenylisoquinolin-1(2H)-one chemical structure, C16H13NO, CAS 73109-01-0
3-Methyl-2-phenylisoquinolin-1(2H)-one
CAS 73109-01-0C16H13NO
4-Methyl-2-phenylisoquinolin-1(2H)-one chemical structure, C16H13NO, CAS 89736-86-7
4-Methyl-2-phenylisoquinolin-1(2H)-one
CAS 89736-86-7C16H13NO