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Murcko scaffold

5a,6,7,8,9,10-Hexahydro-5H-azepino[2,1-b]quinazolin-12-one scaffold

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1c2ccccc2NC2CCCCCN12

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 5a,6,7,8,9,10-Hexahydro-5H-azepino[2,1-b]quinazolin-12-one page
Murcko scaffold O=C1c2ccccc2NC2CCCCCN12

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 4 of 4 chemicals

5a,6,7,8,9,10-Hexahydro-5H-azepino[2,1-b]quinazolin-12-one chemical structure, C13H16N2O, CAS 67634-35-9
5a,6,7,8,9,10-Hexahydro-5H-azepino[2,1-b]quinazolin-12-one
CAS 67634-35-9C13H16N2O
12-Oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxylic acid chemical structure, C14H16N2O3, CAS 1708268-34-1
12-Oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxylic acid
CAS 1708268-34-1C14H16N2O3
5-Ethyl-12-oxo-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylic acid chemical structure, C16H20N2O3, CAS 2379972-64-0
5-Ethyl-12-oxo-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylic acid
CAS 2379972-64-0C16H20N2O3
5-Methyl-12-oxo-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylic acid chemical structure, C15H18N2O3, CAS 3054545-90-0
5-Methyl-12-oxo-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylic acid
CAS 3054545-90-0C15H18N2O3