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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 97 to 111 of 111 chemicals

Methyl 2-(7-oxo-1,4-diazepan-1-yl)acetate hydrochloride chemical structure, C8H15ClN2O3, CAS 2792201-72-8
Methyl 2-(7-oxo-1,4-diazepan-1-yl)acetate hydrochloride
CAS 2792201-72-8C8H15ClN2O3
2-{7-Oxo-4-[(prop-2-en-1-yloxy)carbonyl]-1,4-diazepan-1-yl}acetic acid chemical structure, C11H16N2O5, CAS 2803860-13-9
2-{7-Oxo-4-[(prop-2-en-1-yloxy)carbonyl]-1,4-diazepan-1-yl}acetic acid
CAS 2803860-13-9C11H16N2O5
2-[7-Oxo-4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]acetic acid chemical structure, C9H11F3N2O4, CAS 2803827-45-2
2-[7-Oxo-4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]acetic acid
CAS 2803827-45-2C9H11F3N2O4
2-(4-Acetyl-7-oxo-1,4-diazepan-1-yl)acetic acid chemical structure, C9H14N2O4, CAS 2803829-52-7
2-(4-Acetyl-7-oxo-1,4-diazepan-1-yl)acetic acid
CAS 2803829-52-7C9H14N2O4
2-(7-Oxo-1,4-diazepan-1-yl)aceticacidhydrochloride chemical structure, C7H13ClN2O3, CAS 2803856-43-9
2-(7-Oxo-1,4-diazepan-1-yl)aceticacidhydrochloride
CAS 2803856-43-9C7H13ClN2O3
6-Iodo-1,4-diazepan-5-one chemical structure, C5H9IN2O, CAS 2757928-57-5
6-Iodo-1,4-diazepan-5-one
CAS 2757928-57-5C5H9IN2O
tert-Butyl 6-(2-chloroacetamido)-5-oxo-1,4-diazepane-1-carboxylate chemical structure, C12H20ClN3O4, CAS 2411194-71-1
tert-Butyl 6-(2-chloroacetamido)-5-oxo-1,4-diazepane-1-carboxylate
CAS 2411194-71-1C12H20ClN3O4
1-Acetyl-7,7-dimethyl-1,4-diazepan-5-one chemical structure, C9H16N2O2, CAS 2275718-20-0
1-Acetyl-7,7-dimethyl-1,4-diazepan-5-one
CAS 2275718-20-0C9H16N2O2
tert-Butyl 6-(but-2-ynamido)-5-oxo-1,4-diazepane-1-carboxylate chemical structure, C14H21N3O4, CAS 2411195-59-8
tert-Butyl 6-(but-2-ynamido)-5-oxo-1,4-diazepane-1-carboxylate
CAS 2411195-59-8C14H21N3O4
4-(2,2-Difluoroethyl)-1,4-diazepan-5-one chemical structure, C7H12F2N2O, CAS 2327188-19-0
4-(2,2-Difluoroethyl)-1,4-diazepan-5-one
CAS 2327188-19-0C7H12F2N2O
(R)-6-Amino-1,4-diazepan-5-one chemical structure, C5H11N3O, CAS 2643926-84-3
(R)-6-Amino-1,4-diazepan-5-one
CAS 2643926-84-3C5H11N3O
5H-1,4-Diazepin-5-one, hexahydro-1-(2-hydroxypropyl)-2-(2-methylpropyl)- chemical structure, C12H24N2O2, CAS 2110383-84-9
5H-1,4-Diazepin-5-one, hexahydro-1-(2-hydroxypropyl)-2-(2-methylpropyl)-
CAS 2110383-84-9C12H24N2O2
tert-Butyl (S)-(5-oxo-1,4-diazepan-6-yl)carbamate chemical structure, C10H19N3O3, CAS 2381692-30-2
tert-Butyl (S)-(5-oxo-1,4-diazepan-6-yl)carbamate
CAS 2381692-30-2C10H19N3O3
tert-Butyl (R)-(5-oxo-1,4-diazepan-6-yl)carbamate chemical structure, C10H19N3O3, CAS 2381149-30-8
tert-Butyl (R)-(5-oxo-1,4-diazepan-6-yl)carbamate
CAS 2381149-30-8C10H19N3O3
tert-Butyl 3,3-dimethyl-5-oxo-1,4-diazepane-1-carboxylate chemical structure, C12H22N2O3, CAS 2167375-71-3
tert-Butyl 3,3-dimethyl-5-oxo-1,4-diazepane-1-carboxylate
CAS 2167375-71-3C12H22N2O3