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Murcko scaffold

Ring system with 3 rings and 17 atoms

210 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
210
With full pages
72
Scaffold SMILES

O=C1CCCC2=C1C(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=C1CCCC2=C1C(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 210 chemicals

2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H16N2O2, CAS 326915-49-5
2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 326915-49-5C17H16N2O2
2-Amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-3-carbonitrile chemical structure, C16H13FN2O2, CAS 107752-90-9
2-Amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-3-carbonitrile
CAS 107752-90-9C16H13FN2O2
2-Amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C16H13FN2O2, CAS 107752-91-0
2-Amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 107752-91-0C16H13FN2O2
2-Amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C16H14N2O2, CAS 107752-89-6
2-Amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 107752-89-6C16H14N2O2
2-Amino-4-(2-fluorophenyl)-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-3-carbonitrile chemical structure, C16H13FN2O2, CAS 331950-31-3
2-Amino-4-(2-fluorophenyl)-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-3-carbonitrile
CAS 331950-31-3C16H13FN2O2
2-Amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C22H26N2O3, CAS 329692-66-2
2-Amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 329692-66-2C22H26N2O3
Methyl 2-amino-4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C19H20FNO4, CAS 309926-75-8
Methyl 2-amino-4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 309926-75-8C19H20FNO4
2-Amino-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H20N2O5, CAS 303141-32-4
2-Amino-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 303141-32-4C19H20N2O5
2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H18N2O4, CAS 326915-37-1
2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 326915-37-1C18H18N2O4
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H17ClN2O2, CAS 107753-00-4
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 107753-00-4C18H17ClN2O2
Ethyl 2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C24H31NO5, CAS 383410-62-6
Ethyl 2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 383410-62-6C24H31NO5
2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H16N2O3, CAS 156176-88-4
2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 156176-88-4C17H16N2O3
2-Amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C16H13ClN2O2, CAS 107752-92-1
2-Amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 107752-92-1C16H13ClN2O2
2-Amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H18N2O2, CAS 107752-97-6
2-Amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 107752-97-6C18H18N2O2
2-Amino-7,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H17F3N2O2, CAS 299165-77-8
2-Amino-7,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 299165-77-8C19H17F3N2O2
2-Amino-4-(2,4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C16H12Cl2N2O2, CAS 315245-07-9
2-Amino-4-(2,4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 315245-07-9C16H12Cl2N2O2
2-Amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H20N2O2S, CAS 313379-76-9
2-Amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 313379-76-9C19H20N2O2S
2-Amino-4-(2,4-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H16Cl2N2O2, CAS 144036-33-9
2-Amino-4-(2,4-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 144036-33-9C18H16Cl2N2O2
Ethyl 2-amino-4-(2,4-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C20H21Cl2NO4, CAS 144036-27-1
Ethyl 2-amino-4-(2,4-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 144036-27-1C20H21Cl2NO4
Ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C18H18ClNO4, CAS 107752-88-5
Ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 107752-88-5C18H18ClNO4
Ethyl 2-amino-4-(2,4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C18H17Cl2NO4, CAS 329934-95-4
Ethyl 2-amino-4-(2,4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 329934-95-4C18H17Cl2NO4
Ethyl 2-amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C19H21NO5, CAS 333340-98-0
Ethyl 2-amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 333340-98-0C19H21NO5
Ethyl 2-amino-4-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C18H18ClNO4, CAS 333341-09-6
Ethyl 2-amino-4-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 333341-09-6C18H18ClNO4
Ethyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C18H18N2O6, CAS 302590-17-6
Ethyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 302590-17-6C18H18N2O6