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Murcko scaffold

Azepan-4-one, N-CBZ protected scaffold

12 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
18
Chemicals
12
With full pages
3
Scaffold SMILES

O=C1CCCN(C(=O)OCc2ccccc2)CC1

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 Azepan-4-one, N-CBZ protected page
Murcko scaffold O=C1CCCN(C(=O)OCc2ccccc2)CC1

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 12 of 12 chemicals

Azepan-4-one, N-CBZ protected chemical structure, C14H17NO3, CAS 83621-33-4
Azepan-4-one, N-CBZ protected
CAS 83621-33-4C14H17NO3
1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate chemical structure, C17H21NO5, CAS 31696-09-0
1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate
CAS 31696-09-0C17H21NO5
Benzyl 3-bromo-4-oxoazepane-1-carboxylate chemical structure, C14H16BrNO3, CAS 1247884-64-5
Benzyl 3-bromo-4-oxoazepane-1-carboxylate
CAS 1247884-64-5C14H16BrNO3
Benzyl 4-bromo-5-oxoazepane-1-carboxylate chemical structure, C14H16BrNO3, CAS 1784289-13-9
Benzyl 4-bromo-5-oxoazepane-1-carboxylate
CAS 1784289-13-9C14H16BrNO3
Benzyl 3-fluoro-4-oxoazepane-1-carboxylate chemical structure, C14H16FNO3, CAS 1801454-31-8
Benzyl 3-fluoro-4-oxoazepane-1-carboxylate
CAS 1801454-31-8C14H16FNO3
1-Benzyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate chemical structure, C17H21NO5, CAS 1801454-22-7
1-Benzyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate
CAS 1801454-22-7C17H21NO5
Benzyl 3-methyl-4-oxoazepane-1-carboxylate chemical structure, C15H19NO3, CAS 80662-84-6
Benzyl 3-methyl-4-oxoazepane-1-carboxylate
CAS 80662-84-6C15H19NO3
1-[(Benzyloxy)carbonyl]-5-oxoazepane-4-carboxylic acid chemical structure, C15H17NO5, CAS 2639460-44-7
1-[(Benzyloxy)carbonyl]-5-oxoazepane-4-carboxylic acid
CAS 2639460-44-7C15H17NO5
Benzyl 4-methyl-5-oxoazepane-1-carboxylate chemical structure, C15H19NO3, CAS 2708287-28-7
Benzyl 4-methyl-5-oxoazepane-1-carboxylate
CAS 2708287-28-7C15H19NO3
Benzyl 4,4-difluoro-5-oxoazepane-1-carboxylate chemical structure, C14H15F2NO3, CAS 2309446-78-2
Benzyl 4,4-difluoro-5-oxoazepane-1-carboxylate
CAS 2309446-78-2C14H15F2NO3
1-Benzyl 4-ethyl 6-fluoro-5-oxoazepane-1,4-dicarboxylate chemical structure, C17H20FNO5, CAS 2138246-35-0
1-Benzyl 4-ethyl 6-fluoro-5-oxoazepane-1,4-dicarboxylate
CAS 2138246-35-0C17H20FNO5
Benzyl 3,3-dimethyl-5-oxoazepane-1-carboxylate chemical structure, C16H21NO3, CAS 2680827-06-7
Benzyl 3,3-dimethyl-5-oxoazepane-1-carboxylate
CAS 2680827-06-7C16H21NO3