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Murcko scaffold

Ring system with 4 rings and 26 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
5
With full pages
3
Scaffold SMILES

O=C(Cn1c(N2CCOCC2)nc2[nH]c(=O)[nH]c(=O)c21)c1ccccc1

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 scaffold
Murcko scaffold O=C(Cn1c(N2CCOCC2)nc2[nH]c(=O)[nH]c(=O)c21)c1ccccc1

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 5 of 5 chemicals

1,3-Dimethyl-8-(4-morpholinyl)-7-(2-oxo-2-PH-ET)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H21N5O4, CAS 111442-55-8
1,3-Dimethyl-8-(4-morpholinyl)-7-(2-oxo-2-PH-ET)-3,7-dihydro-1H-purine-2,6-dione
CAS 111442-55-8C19H21N5O4
7-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione chemical structure, C20H23N5O5, CAS 442644-60-2
7-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CAS 442644-60-2C20H23N5O5
1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylpropan-2-yl)purine-2,6-dione chemical structure, C20H23N5O4, CAS 728035-72-1
1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylpropan-2-yl)purine-2,6-dione
CAS 728035-72-1C20H23N5O4
3-Methyl-8-morpholino-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H19N5O4, CAS 123496-38-8
3-Methyl-8-morpholino-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
CAS 123496-38-8C18H19N5O4
1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione chemical structure, C21H25N5O4, CAS 442673-38-3
1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione
CAS 442673-38-3C21H25N5O4