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Murcko scaffold

1,4-Diazepan-5-one scaffold

111 chemicals on CompoundList share this ring system.

Rings
1
Scaffold atoms
8
Chemicals
111
With full pages
18
Scaffold SMILES

O=C1CCNCCN1

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 1,4-Diazepan-5-one page
Murcko scaffold O=C1CCNCCN1

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 49 to 96 of 111 chemicals

6-Methyl-1,4-diazepan-5-one chemical structure, C6H12N2O, CAS 955082-87-8
6-Methyl-1,4-diazepan-5-one
CAS 955082-87-8C6H12N2O
2,7-Diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one chemical structure, C13H26N2O, CAS 61715-83-1
2,7-Diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
CAS 61715-83-1C13H26N2O
2,7-Diethyl-2,3,7-trimethyl-1,4-diazepan-5-one chemical structure, C12H24N2O, CAS 61715-86-4
2,7-Diethyl-2,3,7-trimethyl-1,4-diazepan-5-one
CAS 61715-86-4C12H24N2O
1-Methyl-1,4-diazepan-5-one hydrochloride chemical structure, C6H13ClN2O, CAS 854828-87-8
1-Methyl-1,4-diazepan-5-one hydrochloride
CAS 854828-87-8C6H13ClN2O
4-Butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one chemical structure, C16H32N2O, CAS 61715-85-3
4-Butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one
CAS 61715-85-3C16H32N2O
7-Ethyl-1,4-diazepan-5-one chemical structure, C7H14N2O, CAS 1338247-42-9
7-Ethyl-1,4-diazepan-5-one
CAS 1338247-42-9C7H14N2O
4-(2-Methoxyethyl)-1,4-diazepan-5-one hydrochloride chemical structure, C8H17ClN2O2, CAS 1774893-36-5
4-(2-Methoxyethyl)-1,4-diazepan-5-one hydrochloride
CAS 1774893-36-5C8H17ClN2O2
2-Methyl-1,4-diazepan-5-one trifluoroacetate chemical structure, C8H13F3N2O3, CAS 1390655-06-7
2-Methyl-1,4-diazepan-5-one trifluoroacetate
CAS 1390655-06-7C8H13F3N2O3
2,4-Dimethyl-1,4-diazepan-5-one chemical structure, C7H14N2O, CAS 1536757-25-1
2,4-Dimethyl-1,4-diazepan-5-one
CAS 1536757-25-1C7H14N2O
4-Ethyl-2-methyl-1,4-diazepan-5-one chemical structure, C8H16N2O, CAS 1515077-88-9
4-Ethyl-2-methyl-1,4-diazepan-5-one
CAS 1515077-88-9C8H16N2O
4-Isobutyl-[1,4]diazepan-5-one chemical structure, C9H18N2O, CAS 1523367-72-7
4-Isobutyl-[1,4]diazepan-5-one
CAS 1523367-72-7C9H18N2O
tert-Butyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate chemical structure, C10H19N3O3, CAS 1779476-17-3
tert-Butyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate
CAS 1779476-17-3C10H19N3O3
Methyl 5-oxo-1,4-diazepane-2-carboxylate chemical structure, C7H12N2O3, CAS 1779649-02-3
Methyl 5-oxo-1,4-diazepane-2-carboxylate
CAS 1779649-02-3C7H12N2O3
Methyl 2-(7-oxo-1,4-diazepan-1-yl)acetate chemical structure, C8H14N2O3, CAS 1260423-45-7
Methyl 2-(7-oxo-1,4-diazepan-1-yl)acetate
CAS 1260423-45-7C8H14N2O3
2,2-Dimethyl-1,4-diazepan-5-one chemical structure, C7H14N2O, CAS 933690-00-7
2,2-Dimethyl-1,4-diazepan-5-one
CAS 933690-00-7C7H14N2O
7-Oxo-1,4-diazepane-2-carboxylic acid chemical structure, C6H10N2O3, CAS 1779690-40-2
7-Oxo-1,4-diazepane-2-carboxylic acid
CAS 1779690-40-2C6H10N2O3
6-(Trifluoromethyl)-1,4-diazepan-5-one chemical structure, C6H9F3N2O, CAS 1783724-45-7
6-(Trifluoromethyl)-1,4-diazepan-5-one
CAS 1783724-45-7C6H9F3N2O
5-Oxo-4-(3-oxo-propyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester chemical structure, C13H22N2O4, CAS 955028-30-5
5-Oxo-4-(3-oxo-propyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
CAS 955028-30-5C13H22N2O4
4-(2-Dimethylamino-ethyl)-[1,4]diazepan-5-one dioxalate chemical structure, C13H23N3O9, CAS 1284225-04-2
4-(2-Dimethylamino-ethyl)-[1,4]diazepan-5-one dioxalate
CAS 1284225-04-2C13H23N3O9
(R)-7-Methyl-1,4-diazepan-5-one chemical structure, C6H12N2O, CAS 1394957-73-3
(R)-7-Methyl-1,4-diazepan-5-one
CAS 1394957-73-3C6H12N2O
(S)-7-Methyl-1,4-diazepan-5-one chemical structure, C6H12N2O, CAS 1875666-54-8
(S)-7-Methyl-1,4-diazepan-5-one
CAS 1875666-54-8C6H12N2O
4-(2,2-Dimethylpropyl)-1,4-diazepan-5-one chemical structure, C10H20N2O, CAS 1893553-08-6
4-(2,2-Dimethylpropyl)-1,4-diazepan-5-one
CAS 1893553-08-6C10H20N2O
2,2,4-Trimethyl-1,4-diazepan-5-one chemical structure, C8H16N2O, CAS 1896457-91-2
2,2,4-Trimethyl-1,4-diazepan-5-one
CAS 1896457-91-2C8H16N2O
4-Ethyl-2,2-dimethyl-1,4-diazepan-5-one chemical structure, C9H18N2O, CAS 1893833-39-0
4-Ethyl-2,2-dimethyl-1,4-diazepan-5-one
CAS 1893833-39-0C9H18N2O