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Murcko scaffold

Ring system with 3 rings and 17 atoms

37 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
37
With full pages
8
Scaffold SMILES

O=C1OC2(C(=O)Nc3ccccc3)CCC1C2

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=C1OC2(C(=O)Nc3ccccc3)CCC1C2

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 37 of 37 chemicals

2-Oxabicyclo[2.2.1]heptane-1-carboxamide, 4,7,7-trimethyl-3-oxo-N-phenyl-, (1S)- chemical structure, C16H19NO3, CAS 54200-39-4
2-Oxabicyclo[2.2.1]heptane-1-carboxamide, 4,7,7-trimethyl-3-oxo-N-phenyl-, (1S)-
CAS 54200-39-4C16H19NO3
(1S,4S)-N-(2,4-Dimethyl-6-nitrophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C18H22N2O5, CAS 326873-09-0
(1S,4S)-N-(2,4-Dimethyl-6-nitrophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 326873-09-0C18H22N2O5
N-(2-Bromo-5-nitrophenyl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide chemical structure, C16H17BrN2O5, CAS 433690-74-5
N-(2-Bromo-5-nitrophenyl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
CAS 433690-74-5C16H17BrN2O5
Propyl 3-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate chemical structure, C20H25NO5, CAS 433975-20-3
Propyl 3-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
CAS 433975-20-3C20H25NO5
4,7,7-Trimethyl-N-(2-nitrophenyl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C16H18N2O5, CAS 399004-55-8
4,7,7-Trimethyl-N-(2-nitrophenyl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 399004-55-8C16H18N2O5
N-(2,4-Dimethylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C18H23NO3, CAS 613658-71-2
N-(2,4-Dimethylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 613658-71-2C18H23NO3
N-(4-Bromophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C16H18BrNO3, CAS 577768-18-4
N-(4-Bromophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 577768-18-4C16H18BrNO3
Methyl 2-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate chemical structure, C18H21NO5, CAS 613658-84-7
Methyl 2-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
CAS 613658-84-7C18H21NO5
N-(4-Iodophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C16H18INO3, CAS 573709-22-5
N-(4-Iodophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 573709-22-5C16H18INO3
N-(2,5-Dichlorophenyl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide chemical structure, C16H17Cl2NO3, CAS 613658-87-0
N-(2,5-Dichlorophenyl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
CAS 613658-87-0C16H17Cl2NO3
N-(2-Methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C18H23NO4, CAS 578000-35-8
N-(2-Methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 578000-35-8C18H23NO4
N-Ethyl-4,7,7-trimethyl-3-oxo-N-phenyl-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C18H23NO3, CAS 618400-19-4
N-Ethyl-4,7,7-trimethyl-3-oxo-N-phenyl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 618400-19-4C18H23NO3
N-(3,4-Dichlorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C16H17Cl2NO3, CAS 578719-17-2
N-(3,4-Dichlorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 578719-17-2C16H17Cl2NO3
N-(2-Ethylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C18H23NO3, CAS 578005-27-3
N-(2-Ethylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 578005-27-3C18H23NO3
N-(3-Methoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C17H21NO4, CAS 586983-92-8
N-(3-Methoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 586983-92-8C17H21NO4
N-[2-Chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C17H17ClF3NO3, CAS 577761-97-8
N-[2-Chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 577761-97-8C17H17ClF3NO3
N-(4-Butylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C20H27NO3, CAS 618400-22-9
N-(4-Butylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 618400-22-9C20H27NO3
4,7,7-Trimethyl-3-oxo-N-[2-(trifluoromethyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C17H18F3NO3, CAS 618400-98-9
4,7,7-Trimethyl-3-oxo-N-[2-(trifluoromethyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 618400-98-9C17H18F3NO3
N-Ethyl-4,7,7-trimethyl-N-(3-methylphenyl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C19H25NO3, CAS 578000-76-7
N-Ethyl-4,7,7-trimethyl-N-(3-methylphenyl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 578000-76-7C19H25NO3
Dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate chemical structure, C20H23NO7, CAS 618401-51-7
Dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate
CAS 618401-51-7C20H23NO7
2-Oxabicyclo[2.2.1]heptane-1-carboxamide, N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxo- chemical structure, C16H18FNO3, CAS 613658-81-4
2-Oxabicyclo[2.2.1]heptane-1-carboxamide, N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxo-
CAS 613658-81-4C16H18FNO3
N-{4-[(Difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C17H19F2NO3S, CAS 616214-65-4
N-{4-[(Difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 616214-65-4C17H19F2NO3S
4,7,7-Trimethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C17H18F3NO3, CAS 727685-98-5
4,7,7-Trimethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 727685-98-5C17H18F3NO3
4,7,7-Trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide chemical structure, C17H18F3NO4, CAS 831244-68-9
4,7,7-Trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CAS 831244-68-9C17H18F3NO4