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Murcko scaffold

Ring system with 2 rings and 13 atoms

18 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
18
With full pages
4
Scaffold SMILES

C1=CC(=Nc2ccccc2)CCC1

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 C1=CC(=Nc2ccccc2)CCC1

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 18 of 18 chemicals

Benzenaminium, N-methyl-N-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, iodide chemical structure, C16H22IN, CAS 38051-13-7
Benzenaminium, N-methyl-N-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, iodide
CAS 38051-13-7C16H22IN
N-(2,4-Dichlorophenyl)-3,5,5-trimethylcyclohex-2-en-1-imine chemical structure, C15H17Cl2N, CAS 6941-60-2
N-(2,4-Dichlorophenyl)-3,5,5-trimethylcyclohex-2-en-1-imine
CAS 6941-60-2C15H17Cl2N
3,5-Dimethyl-N-[(1z)-3,5,5-trimethylcyclohex-2-en-1-ylidene]aniline chemical structure, C17H23N, CAS 7401-56-1
3,5-Dimethyl-N-[(1z)-3,5,5-trimethylcyclohex-2-en-1-ylidene]aniline
CAS 7401-56-1C17H23N
N,N-Dimethyl-1-[(2E)-2-(phenylimino)cyclohex-3-en-1-yl]methanamine--hydrogen bromide (1/1) chemical structure, C15H21BrN2, CAS 6309-34-8
N,N-Dimethyl-1-[(2E)-2-(phenylimino)cyclohex-3-en-1-yl]methanamine--hydrogen bromide (1/1)
CAS 6309-34-8C15H21BrN2
N-{2-Chloro-5-[(5-methyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}propanamide hydrochloride chemical structure, C16H20Cl2N2O2
N-{2-Chloro-5-[(5-methyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}propanamide hydrochloride
C16H20Cl2N2O2
2-[(E)-(3-Ethyl-2-methylcyclohex-2-en-1-ylidene)amino]benzoic acid chemical structure, C16H19NO2, CAS 60308-17-0
2-[(E)-(3-Ethyl-2-methylcyclohex-2-en-1-ylidene)amino]benzoic acid
CAS 60308-17-0C16H19NO2
2-[(E)-(2,3-Dimethylcyclohex-2-en-1-ylidene)amino]benzoic acid chemical structure, C15H17NO2, CAS 60308-16-9
2-[(E)-(2,3-Dimethylcyclohex-2-en-1-ylidene)amino]benzoic acid
CAS 60308-16-9C15H17NO2
Methyl 3-butyryl-4-((2-methoxyphenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate chemical structure, C21H27NO5, CAS 304877-34-7
Methyl 3-butyryl-4-((2-methoxyphenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate
CAS 304877-34-7C21H27NO5
Methyl 3-butyryl-4-((4-methoxyphenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate chemical structure, C21H27NO5, CAS 300731-03-7
Methyl 3-butyryl-4-((4-methoxyphenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate
CAS 300731-03-7C21H27NO5
Methyl 3-butanoyl-6,6-dimethyl-4-(3-nitroanilino)-2-oxocyclohex-3-ene-1-carboxylate chemical structure, C20H24N2O6, CAS 302798-96-5
Methyl 3-butanoyl-6,6-dimethyl-4-(3-nitroanilino)-2-oxocyclohex-3-ene-1-carboxylate
CAS 302798-96-5C20H24N2O6
Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(o-tolylamino)cyclohex-3-enecarboxylate chemical structure, C21H27NO4, CAS 331965-85-6
Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(o-tolylamino)cyclohex-3-enecarboxylate
CAS 331965-85-6C21H27NO4
Methyl 3-butanoyl-6,6-dimethyl-4-(4-nitroanilino)-2-oxocyclohex-3-ene-1-carboxylate chemical structure, C20H24N2O6, CAS 331965-90-3
Methyl 3-butanoyl-6,6-dimethyl-4-(4-nitroanilino)-2-oxocyclohex-3-ene-1-carboxylate
CAS 331965-90-3C20H24N2O6
Methyl 3-butanoyl-6,6-dimethyl-4-(4-methylanilino)-2-oxocyclohex-3-ene-1-carboxylate chemical structure, C21H27NO4, CAS 304870-61-9
Methyl 3-butanoyl-6,6-dimethyl-4-(4-methylanilino)-2-oxocyclohex-3-ene-1-carboxylate
CAS 304870-61-9C21H27NO4
Methyl 4-(4-bromoanilino)-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate chemical structure, C20H24BrNO4, CAS 370074-98-9
Methyl 4-(4-bromoanilino)-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
CAS 370074-98-9C20H24BrNO4
Methyl 3-butyryl-4-((2,4-dichlorophenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate chemical structure, C20H23Cl2NO4, CAS 368837-97-2
Methyl 3-butyryl-4-((2,4-dichlorophenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate
CAS 368837-97-2C20H23Cl2NO4
Methyl 3-butyryl-4-((2,4-dimethoxyphenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate chemical structure, C22H29NO6, CAS 383885-34-5
Methyl 3-butyryl-4-((2,4-dimethoxyphenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate
CAS 383885-34-5C22H29NO6
2-Acetyl-3-(4-aminoanilino)-5,5-dimethylcyclohex-2-en-1-one chemical structure, C16H20N2O2, CAS 5976-26-1
2-Acetyl-3-(4-aminoanilino)-5,5-dimethylcyclohex-2-en-1-one
CAS 5976-26-1C16H20N2O2
Methyl 4-((3-acetylphenyl)amino)-3-butyryl-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate chemical structure, C22H27NO5, CAS 300701-32-0
Methyl 4-((3-acetylphenyl)amino)-3-butyryl-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate
CAS 300701-32-0C22H27NO5