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Murcko scaffold

Azepan-3-one scaffold

27 chemicals on CompoundList share this ring system.

Rings
1
Scaffold atoms
8
Chemicals
27
With full pages
3
Scaffold SMILES

O=C1CCCCNC1

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-3-one page
Murcko scaffold O=C1CCCCNC1

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 27 of 27 chemicals

1H-Azepine-1-carboxylic acid, hexahydro-3-oxo-, methyl ester chemical structure, C8H13NO3, CAS 61995-22-0
1H-Azepine-1-carboxylic acid, hexahydro-3-oxo-, methyl ester
CAS 61995-22-0C8H13NO3
Azepan-3-one chemical structure, C6H11NO, CAS 171257-01-5
Azepan-3-one
CAS 171257-01-5C6H11NO
tert-Butyl 3-oxoazepane-1-carboxylate chemical structure, C11H19NO3, CAS 870842-23-2
tert-Butyl 3-oxoazepane-1-carboxylate
CAS 870842-23-2C11H19NO3
Azepan-3-one hydrochloride chemical structure, C6H12ClNO, CAS 65326-54-7
Azepan-3-one hydrochloride
CAS 65326-54-7C6H12ClNO
1-tert-Butyl 4-ethyl 3-oxoazepane-1,4-dicarboxylate chemical structure, C14H23NO5, CAS 98977-38-9
1-tert-Butyl 4-ethyl 3-oxoazepane-1,4-dicarboxylate
CAS 98977-38-9C14H23NO5
tert-Butyl 5-hydroxy-3-oxoazepane-1-carboxylate chemical structure, C11H19NO4, CAS 1341037-70-4
tert-Butyl 5-hydroxy-3-oxoazepane-1-carboxylate
CAS 1341037-70-4C11H19NO4
5,5-Dimethylazepan-3-one chemical structure, C8H15NO, CAS 1511458-85-7
5,5-Dimethylazepan-3-one
CAS 1511458-85-7C8H15NO
Ethyl 3-oxoazepane-4-carboxylate chemical structure, C9H15NO3, CAS 1530976-30-7
Ethyl 3-oxoazepane-4-carboxylate
CAS 1530976-30-7C9H15NO3
4-Methylazepan-3-one chemical structure, C7H13NO, CAS 1500248-70-3
4-Methylazepan-3-one
CAS 1500248-70-3C7H13NO
1-Nitrosoazepan-3-one chemical structure, C6H10N2O2, CAS 77428-20-7
1-Nitrosoazepan-3-one
CAS 77428-20-7C6H10N2O2
4-Fluoroazepan-3-one chemical structure, C6H10FNO, CAS 1823935-50-7
4-Fluoroazepan-3-one
CAS 1823935-50-7C6H10FNO
4-Fluoroazepan-3-one hydrochloride chemical structure, C6H11ClFNO, CAS 1823935-51-8
4-Fluoroazepan-3-one hydrochloride
CAS 1823935-51-8C6H11ClFNO
tert-Butyl 4-fluoro-3-oxoazepane-1-carboxylate chemical structure, C11H18FNO3, CAS 1823834-07-6
tert-Butyl 4-fluoro-3-oxoazepane-1-carboxylate
CAS 1823834-07-6C11H18FNO3
tert-Butyl 5,5-dimethyl-3-oxoazepane-1-carboxylate chemical structure, C13H23NO3, CAS 2247106-54-1
tert-Butyl 5,5-dimethyl-3-oxoazepane-1-carboxylate
CAS 2247106-54-1C13H23NO3
tert-Butyl (3S)-3-hydroxy-6-oxo-azepane-1-carboxylate chemical structure, C11H19NO4, CAS 2940876-64-0
tert-Butyl (3S)-3-hydroxy-6-oxo-azepane-1-carboxylate
CAS 2940876-64-0C11H19NO4
4-Methylazepan-3-one hydrochloride chemical structure, C7H14ClNO, CAS 2731008-27-6
4-Methylazepan-3-one hydrochloride
CAS 2731008-27-6C7H14ClNO
tert-Butyl 4-methyl-3-oxoazepane-1-carboxylate chemical structure, C12H21NO3, CAS 2770525-59-0
tert-Butyl 4-methyl-3-oxoazepane-1-carboxylate
CAS 2770525-59-0C12H21NO3
1-tert-Butyl 3-methyl 6-oxoazepane-1,3-dicarboxylate chemical structure, C13H21NO5, CAS 2758001-39-5
1-tert-Butyl 3-methyl 6-oxoazepane-1,3-dicarboxylate
CAS 2758001-39-5C13H21NO5
1-Boc-3-oxoazepane-4-carbonitrile chemical structure, C12H18N2O3, CAS 3060953-46-7
1-Boc-3-oxoazepane-4-carbonitrile
CAS 3060953-46-7C12H18N2O3
Methyl 6-oxoazepane-3-carboxylate chemical structure, C8H13NO3, CAS 2920145-96-4
Methyl 6-oxoazepane-3-carboxylate
CAS 2920145-96-4C8H13NO3
tert-Butyl 3,3-difluoro-6-oxo-azepane-1-carboxylate chemical structure, C11H17F2NO3, CAS 2920414-89-5
tert-Butyl 3,3-difluoro-6-oxo-azepane-1-carboxylate
CAS 2920414-89-5C11H17F2NO3
7-Vinylazepan-3-one chemical structure, C8H13NO, CAS 2940964-46-3
7-Vinylazepan-3-one
CAS 2940964-46-3C8H13NO
tert-Butyl (3R)-3-hydroxy-6-oxo-azepane-1-carboxylate chemical structure, C11H19NO4, CAS 2940873-54-9
tert-Butyl (3R)-3-hydroxy-6-oxo-azepane-1-carboxylate
CAS 2940873-54-9C11H19NO4
(3R)-1-tert-Butoxycarbonyl-6-oxo-azepane-3-carboxylic acid chemical structure, C12H19NO5, CAS 2920443-61-2
(3R)-1-tert-Butoxycarbonyl-6-oxo-azepane-3-carboxylic acid
CAS 2920443-61-2C12H19NO5