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Murcko scaffold

Ring system with 4 rings and 23 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
4
With full pages
2
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2[nH]1

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=c1[nH]c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2[nH]1

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

A2B receptor antagonist 1 chemical structure, C21H24N6O2, CAS 531506-36-2
A2B receptor antagonist 1
CAS 531506-36-2C21H24N6O2
Cvt-6883 chemical structure, C21H21F3N6O2, CAS 752222-83-6
Cvt-6883
CAS 752222-83-6C21H21F3N6O2
1-Ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H15F3N6O2, CAS 1019658-85-5
1-Ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1019658-85-5C18H15F3N6O2
1-Butyl-8-[1-[(3-fluorophenyl)methyl]-1H-pyrazol-4-yl]-3,9-dihydro-3-methyl-1H-purine-2,6-dione chemical structure, C20H21FN6O2, CAS 1001421-60-8
1-Butyl-8-[1-[(3-fluorophenyl)methyl]-1H-pyrazol-4-yl]-3,9-dihydro-3-methyl-1H-purine-2,6-dione
CAS 1001421-60-8C20H21FN6O2