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Murcko scaffold

RefChem:381828 scaffold

108 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
108
With full pages
22
Scaffold SMILES

O=C(c1ccccc1)N1CCc2ccccc2C1

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 scaffoldOpen the RefChem:381828 page
Murcko scaffold O=C(c1ccccc1)N1CCc2ccccc2C1

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 108 chemicals

2-Benzoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile chemical structure, C17H14N2O, CAS 62172-57-0
2-Benzoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile
CAS 62172-57-0C17H14N2O
2-Benzoyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid chemical structure, C17H15NO3, CAS 93316-40-6
2-Benzoyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS 93316-40-6C17H15NO3
2-(2-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C17H17NO, CAS 349094-27-5
2-(2-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline
CAS 349094-27-5C17H17NO
2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C16H14ClNO, CAS 72809-42-8
2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline
CAS 72809-42-8C16H14ClNO
2-(2-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C16H14BrNO, CAS 346725-61-9
2-(2-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline
CAS 346725-61-9C16H14BrNO
2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid chemical structure, C18H17NO3, CAS 436811-20-0
2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS 436811-20-0C18H17NO3
2-(4-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C16H14ClNO, CAS 223735-93-1
2-(4-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline
CAS 223735-93-1C16H14ClNO
(3-Chlorophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone chemical structure, C16H14ClNO, CAS 330468-94-5
(3-Chlorophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CAS 330468-94-5C16H14ClNO
(3,4-Dihydro-2(1H)-isoquinolinyl)(2-fluorophenyl)methanone chemical structure, C16H14FNO, CAS 312924-66-6
(3,4-Dihydro-2(1H)-isoquinolinyl)(2-fluorophenyl)methanone
CAS 312924-66-6C16H14FNO
3,4-Dihydro-1H-isoquinolin-2-yl-(3,4-dimethoxyphenyl)methanone chemical structure, C18H19NO3, CAS 346698-78-0
3,4-Dihydro-1H-isoquinolin-2-yl-(3,4-dimethoxyphenyl)methanone
CAS 346698-78-0C18H19NO3
2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C18H19NO2, CAS 333348-75-7
2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline
CAS 333348-75-7C18H19NO2
N-[4-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide chemical structure, C18H18N2O2, CAS 329930-66-7
N-[4-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CAS 329930-66-7C18H18N2O2
Methyl 3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-5-nitrobenzoate chemical structure, C18H16N2O5, CAS 328284-57-7
Methyl 3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-5-nitrobenzoate
CAS 328284-57-7C18H16N2O5
2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C17H17NO, CAS 99293-80-8
2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline
CAS 99293-80-8C17H17NO
2-{2-Nitrobenzoyl}-1,2,3,4-tetrahydroisoquinoline chemical structure, C16H14N2O3, CAS 311795-89-8
2-{2-Nitrobenzoyl}-1,2,3,4-tetrahydroisoquinoline
CAS 311795-89-8C16H14N2O3
3,4-Dihydro-1H-isoquinolin-2-yl-(2-methoxyphenyl)methanone chemical structure, C17H17NO2, CAS 377064-69-2
3,4-Dihydro-1H-isoquinolin-2-yl-(2-methoxyphenyl)methanone
CAS 377064-69-2C17H17NO2
(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)(phenyl)methanone chemical structure, C20H23NO3, CAS 153396-88-4
(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)(phenyl)methanone
CAS 153396-88-4C20H23NO3
(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methoxy-phenyl)-methanone chemical structure, C19H21NO4, CAS 332939-21-6
(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methoxy-phenyl)-methanone
CAS 332939-21-6C19H21NO4
(2-Chlorophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone chemical structure, C18H18ClNO3, CAS 497089-26-6
(2-Chlorophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CAS 497089-26-6C18H18ClNO3
3,4-Dihydroisoquinolin-2(1H)-yl(4-methyl-3-nitrophenyl)methanone chemical structure, C17H16N2O3, CAS 5346-93-0
3,4-Dihydroisoquinolin-2(1H)-yl(4-methyl-3-nitrophenyl)methanone
CAS 5346-93-0C17H16N2O3
(2-Chloro-4-nitrophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone chemical structure, C16H13ClN2O3, CAS 313067-78-6
(2-Chloro-4-nitrophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CAS 313067-78-6C16H13ClN2O3
(4-Chloro-3-nitrophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone chemical structure, C16H13ClN2O3, CAS 341021-38-3
(4-Chloro-3-nitrophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CAS 341021-38-3C16H13ClN2O3
3,4-Dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone chemical structure, C18H19NO, CAS 333348-28-0
3,4-Dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone
CAS 333348-28-0C18H19NO
2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline chemical structure, C17H16N2O3, CAS 321532-98-3
2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline
CAS 321532-98-3C17H16N2O3