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Murcko scaffold

Ring system with 4 rings and 26 atoms

96 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
96
With full pages
6
Scaffold SMILES

O=C(c1ccccc1)N1CCc2ccccc2C1COc1ccccc1

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(c1ccccc1)N1CCc2ccccc2C1COc1ccccc1

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 96 chemicals

Methyl 4-((2-(4-isopropoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate chemical structure, C30H33NO7, CAS 486452-84-0
Methyl 4-((2-(4-isopropoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
CAS 486452-84-0C30H33NO7
(6,7-Dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-fluorophenyl)methanone chemical structure, C26H26FNO5, CAS 486427-20-7
(6,7-Dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-fluorophenyl)methanone
CAS 486427-20-7C26H26FNO5
6,7-Dimethoxy-1-[(4-methoxyphenoxy)methyl]-2-(4-methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C27H29NO5, CAS 486427-14-9
6,7-Dimethoxy-1-[(4-methoxyphenoxy)methyl]-2-(4-methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline
CAS 486427-14-9C27H29NO5
(4-Chlorophenyl)(6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone chemical structure, C26H26ClNO5, CAS 486451-13-2
(4-Chlorophenyl)(6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CAS 486451-13-2C26H26ClNO5
Methyl 4-[[6,7-dimethoxy-2-(2-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate chemical structure, C27H26N2O8, CAS 486453-02-5
Methyl 4-[[6,7-dimethoxy-2-(2-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
CAS 486453-02-5C27H26N2O8
(6,7-Dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone chemical structure, C27H28N2O7, CAS 449765-80-4
(6,7-Dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone
CAS 449765-80-4C27H28N2O7
(1-((3,5-Dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone chemical structure, C28H31NO5, CAS 486451-82-5
(1-((3,5-Dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone
CAS 486451-82-5C28H31NO5
(2,3-Dimethoxyphenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone chemical structure, C30H35NO6, CAS 449765-31-5
(2,3-Dimethoxyphenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CAS 449765-31-5C30H35NO6
2-(5-Chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline chemical structure, C25H22ClN3O8, CAS 449765-88-2
2-(5-Chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CAS 449765-88-2C25H22ClN3O8
(2-Chloro-5-nitrophenyl)(6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone chemical structure, C26H25ClN2O7, CAS 486451-34-7
(2-Chloro-5-nitrophenyl)(6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CAS 486451-34-7C26H25ClN2O7
(2,3-Dimethoxyphenyl)(1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone chemical structure, C29H33NO6, CAS 449765-05-3
(2,3-Dimethoxyphenyl)(1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CAS 449765-05-3C29H33NO6
2-(5-Chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline chemical structure, C26H25ClN2O7, CAS 486427-30-9
2-(5-Chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CAS 486427-30-9C26H25ClN2O7
6,7-Dimethoxy-2-(3-nitrobenzoyl)-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline chemical structure, C25H23N3O8, CAS 449766-07-8
6,7-Dimethoxy-2-(3-nitrobenzoyl)-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CAS 449766-07-8C25H23N3O8
2-(3-Fluorobenzoyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline chemical structure, C25H23F2NO4, CAS 486426-32-8
2-(3-Fluorobenzoyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CAS 486426-32-8C25H23F2NO4
(6,7-Dimethoxy-1-((3-(trifluoromethyl)phenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone chemical structure, C27H26F3NO5, CAS 486452-25-9
(6,7-Dimethoxy-1-((3-(trifluoromethyl)phenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone
CAS 486452-25-9C27H26F3NO5
(6,7-Dimethoxy-1-((3-(trifluoromethyl)phenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2,3-dimethoxyphenyl)methanone chemical structure, C28H28F3NO6, CAS 486452-29-3
(6,7-Dimethoxy-1-((3-(trifluoromethyl)phenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2,3-dimethoxyphenyl)methanone
CAS 486452-29-3C28H28F3NO6
Methyl 4-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate chemical structure, C28H28N2O8, CAS 486452-94-2
Methyl 4-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
CAS 486452-94-2C28H28N2O8
Methyl 4-((6,7-dimethoxy-2-(4-methoxybenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate chemical structure, C28H29NO7, CAS 486452-75-9
Methyl 4-((6,7-dimethoxy-2-(4-methoxybenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
CAS 486452-75-9C28H29NO7
(3,4-Diethoxyphenyl)(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone chemical structure, C29H32N2O8, CAS 449766-00-1
(3,4-Diethoxyphenyl)(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CAS 449766-00-1C29H32N2O8
(6,7-Dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-(trifluoromethyl)phenyl)methanone chemical structure, C26H23F3N2O6, CAS 449766-05-6
(6,7-Dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-(trifluoromethyl)phenyl)methanone
CAS 449766-05-6C26H23F3N2O6
(1-((3,5-Dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-fluorophenyl)methanone chemical structure, C27H28FNO4, CAS 486451-84-7
(1-((3,5-Dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-fluorophenyl)methanone
CAS 486451-84-7C27H28FNO4
2-(3,4-Dimethoxybenzoyl)-6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydroisoquinoline chemical structure, C28H28F3NO6, CAS 486452-26-0
2-(3,4-Dimethoxybenzoyl)-6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydroisoquinoline
CAS 486452-26-0C28H28F3NO6
Methyl 4-{[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate chemical structure, C28H28N2O8, CAS 486452-93-1
Methyl 4-{[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
CAS 486452-93-1C28H28N2O8
(1-((3,5-Dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone chemical structure, C27H28N2O6, CAS 486451-91-6
(1-((3,5-Dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone
CAS 486451-91-6C27H28N2O6