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Murcko scaffold

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone scaffold

8 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
18
Chemicals
8
With full pages
1
Scaffold SMILES

O=C1NC(=O)C(C2C(=O)NC(=O)NC2=O)C(=O)N1

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 [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone page
Murcko scaffold O=C1NC(=O)C(C2C(=O)NC(=O)NC2=O)C(=O)N1

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 8 of 8 chemicals

Alloxantin chemical structure, C8H6N4O8, CAS 76-24-4
Alloxantin
CAS 76-24-4C8H6N4O8
Amalic acid chemical structure, C12H14N4O8, CAS 2835-45-2
Amalic acid
CAS 2835-45-2C12H14N4O8
5-(1,5-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione chemical structure, C12H14N4O6, CAS 63776-08-9
5-(1,5-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
CAS 63776-08-9C12H14N4O6
1,3,5-Trimethyl-5-(1,3,5-trimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione chemical structure, C14H18N4O6, CAS 56497-20-2
1,3,5-Trimethyl-5-(1,3,5-trimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione
CAS 56497-20-2C14H18N4O6
Alloxantin dihydrate chemical structure, C8H10N4O10, CAS 6011-27-4
Alloxantin dihydrate
CAS 6011-27-4C8H10N4O10
[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone chemical structure, C8H6N4O6, CAS 476-61-9
[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone
CAS 476-61-9C8H6N4O6
5,5'-Dihydroxy-1,1'-dimethyl[5,5'-bi-1,3-diazinane]-2,2',4,4',6,6'-hexone chemical structure, C10H10N4O8, CAS 2784-22-7
5,5'-Dihydroxy-1,1'-dimethyl[5,5'-bi-1,3-diazinane]-2,2',4,4',6,6'-hexone
CAS 2784-22-7C10H10N4O8
1,1',3,3'-Tetramethyl[5,5'-bi-1,3-diazinane]-2,2',4,4',6,6'-hexone--ammonia (1/1) chemical structure, C12H17N5O6, CAS 7499-81-2
1,1',3,3'-Tetramethyl[5,5'-bi-1,3-diazinane]-2,2',4,4',6,6'-hexone--ammonia (1/1)
CAS 7499-81-2C12H17N5O6