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Murcko scaffold

Ring system with 3 rings and 17 atoms

76 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
76
With full pages
10
Scaffold SMILES

O=c1occc2c1C(c1ccccc1)C=CO2

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=c1occc2c1C(c1ccccc1)C=CO2

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 76 chemicals

2-Amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H10Cl2N2O3, CAS 220986-40-3
2-Amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 220986-40-3C16H10Cl2N2O3
2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H12N2O3, CAS 194282-72-9
2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 194282-72-9C16H12N2O3
(4S)-2-Amino-7-methyl-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H11N3O5, CAS 293751-78-7
(4S)-2-Amino-7-methyl-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 293751-78-7C16H11N3O5
2-Amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C17H14N2O4, CAS 194282-76-3
2-Amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 194282-76-3C17H14N2O4
2-Amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H11N3O5, CAS 220986-45-8
2-Amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 220986-45-8C16H11N3O5
Methyl 2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate chemical structure, C17H14N2O7, CAS 265315-73-9
Methyl 2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate
CAS 265315-73-9C17H14N2O7
2-Amino-7-methyl-4-(3-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile chemical structure, C16H11N3O5, CAS 265315-70-6
2-Amino-7-methyl-4-(3-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
CAS 265315-70-6C16H11N3O5
2-Amino-4-phenyl-5-oxo-7-methyl-4H,5H-pyrano[4,3-b]pyran-3-carboxylic acid methyl ester chemical structure, C17H15NO5, CAS 194282-95-6
2-Amino-4-phenyl-5-oxo-7-methyl-4H,5H-pyrano[4,3-b]pyran-3-carboxylic acid methyl ester
CAS 194282-95-6C17H15NO5
2-Amino-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile chemical structure, C19H18N2O6, CAS 370572-64-8
2-Amino-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
CAS 370572-64-8C19H18N2O6
2-Amino-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile chemical structure, C17H14N2O4, CAS 300388-42-5
2-Amino-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
CAS 300388-42-5C17H14N2O4
2-Amino-4-(3-bromophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H11BrN2O3, CAS 331950-32-4
2-Amino-4-(3-bromophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 331950-32-4C16H11BrN2O3
2-Amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H11ClN2O3, CAS 220986-34-5
2-Amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 220986-34-5C16H11ClN2O3
2-Amino-4-(3-chlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H11ClN2O3, CAS 315246-00-5
2-Amino-4-(3-chlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 315246-00-5C16H11ClN2O3
2-Amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H11ClN2O3, CAS 194282-78-5
2-Amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 194282-78-5C16H11ClN2O3
2-Amino-4-(2,3-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H10Cl2N2O3, CAS 329716-18-9
2-Amino-4-(2,3-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 329716-18-9C16H10Cl2N2O3
2-Amino-4-(3,4-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H10Cl2N2O3, CAS 315246-08-3
2-Amino-4-(3,4-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 315246-08-3C16H10Cl2N2O3
2-Amino-4-(2,3-dimethoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C18H16N2O5, CAS 326915-11-1
2-Amino-4-(2,3-dimethoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 326915-11-1C18H16N2O5
2-Amino-4-(2,5-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile chemical structure, C18H16N2O5, CAS 298219-18-8
2-Amino-4-(2,5-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CAS 298219-18-8C18H16N2O5
2-Amino-4-(3-hydroxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H12N2O4, CAS 220986-31-2
2-Amino-4-(3-hydroxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 220986-31-2C16H12N2O4
2-Amino-7-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile chemical structure, C17H11F3N2O3, CAS 315246-01-6
2-Amino-7-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
CAS 315246-01-6C17H11F3N2O3
2-Amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile chemical structure, C16H11FN2O3, CAS 315246-10-7
2-Amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CAS 315246-10-7C16H11FN2O3
2-Amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile chemical structure, C16H11FN2O3, CAS 315246-15-2
2-Amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CAS 315246-15-2C16H11FN2O3
2-Amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano(4,3-b)pyran-3-carbonitrile chemical structure, C16H11FN2O3, CAS 315246-03-8
2-Amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano(4,3-b)pyran-3-carbonitrile
CAS 315246-03-8C16H11FN2O3
4H,5H-Pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-7-methyl-4-(4-methylphenyl)-5-oxo- chemical structure, C17H14N2O3, CAS 194282-74-1
4H,5H-Pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-7-methyl-4-(4-methylphenyl)-5-oxo-
CAS 194282-74-1C17H14N2O3