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Murcko scaffold

Ring system with 2 rings and 20 atoms

16 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
20
Chemicals
16
With full pages
3
Scaffold SMILES

O=C(CCNCCC1=CCCCC1)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=C(CCNCCC1=CCCCC1)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 16 of 16 chemicals

2-[2-(Cyclohexen-1-yl)ethylamino]-4-(3-nitroanilino)-4-oxobutanoic acid chemical structure, C18H23N3O5, CAS 1025725-24-9
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(3-nitroanilino)-4-oxobutanoic acid
CAS 1025725-24-9C18H23N3O5
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(3,4-dichloroanilino)-4-oxobutanoic acid chemical structure, C18H22Cl2N2O3, CAS 484048-93-3
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(3,4-dichloroanilino)-4-oxobutanoic acid
CAS 484048-93-3C18H22Cl2N2O3
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid chemical structure, C20H28N2O5, CAS 1025759-31-2
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid
CAS 1025759-31-2C20H28N2O5
4-(4-Acetylanilino)-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid chemical structure, C20H26N2O4, CAS 1042693-42-4
4-(4-Acetylanilino)-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid
CAS 1042693-42-4C20H26N2O4
4-(3-Chloro-2-methylanilino)-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid chemical structure, C19H25ClN2O3, CAS 1030620-77-9
4-(3-Chloro-2-methylanilino)-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid
CAS 1030620-77-9C19H25ClN2O3
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid chemical structure, C20H28N2O3, CAS 1027608-58-7
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid
CAS 1027608-58-7C20H28N2O3
4-((2-Chlorophenyl)amino)-2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-oxobutanoic acid chemical structure, C18H23ClN2O3, CAS 1046800-71-8
4-((2-Chlorophenyl)amino)-2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-oxobutanoic acid
CAS 1046800-71-8C18H23ClN2O3
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((2,4-dimethoxyphenyl)amino)-4-oxobutanoic acid chemical structure, C20H28N2O5, CAS 1029938-42-8
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((2,4-dimethoxyphenyl)amino)-4-oxobutanoic acid
CAS 1029938-42-8C20H28N2O5
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((4-ethylphenyl)amino)-4-oxobutanoic acid chemical structure, C20H28N2O3, CAS 540763-66-4
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((4-ethylphenyl)amino)-4-oxobutanoic acid
CAS 540763-66-4C20H28N2O3
4-((4-Acetamidophenyl)amino)-2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-oxobutanoic acid chemical structure, C20H27N3O4, CAS 1048016-18-7
4-((4-Acetamidophenyl)amino)-2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-oxobutanoic acid
CAS 1048016-18-7C20H27N3O4
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((2,5-dichlorophenyl)amino)-4-oxobutanoic acid chemical structure, C18H22Cl2N2O3, CAS 1047667-91-3
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((2,5-dichlorophenyl)amino)-4-oxobutanoic acid
CAS 1047667-91-3C18H22Cl2N2O3
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((2,6-diethylphenyl)amino)-4-oxobutanoic acid chemical structure, C22H32N2O3, CAS 1047678-95-4
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((2,6-diethylphenyl)amino)-4-oxobutanoic acid
CAS 1047678-95-4C22H32N2O3
4-((5-Chloro-2-hydroxyphenyl)amino)-2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-oxobutanoic acid chemical structure, C18H23ClN2O4, CAS 1098632-13-3
4-((5-Chloro-2-hydroxyphenyl)amino)-2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-oxobutanoic acid
CAS 1098632-13-3C18H23ClN2O4
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((2-hydroxy-5-methylphenyl)amino)-4-oxobutanoic acid chemical structure, C19H26N2O4, CAS 1098633-56-7
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((2-hydroxy-5-methylphenyl)amino)-4-oxobutanoic acid
CAS 1098633-56-7C19H26N2O4
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((4-hydroxy-2-methylphenyl)amino)-4-oxobutanoic acid chemical structure, C19H26N2O4, CAS 1098635-42-7
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((4-hydroxy-2-methylphenyl)amino)-4-oxobutanoic acid
CAS 1098635-42-7C19H26N2O4
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((4-(difluoromethoxy)phenyl)amino)-4-oxobutanoic acid chemical structure, C19H24F2N2O4, CAS 1047679-21-9
2-((2-(Cyclohex-1-en-1-yl)ethyl)amino)-4-((4-(difluoromethoxy)phenyl)amino)-4-oxobutanoic acid
CAS 1047679-21-9C19H24F2N2O4