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Murcko scaffold

Ring system with 4 rings and 20 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
4
With full pages
1
Scaffold SMILES

c1cc2cnn(C3CCCCO3)c2cc1B1OCCO1

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 c1cc2cnn(C3CCCCO3)c2cc1B1OCCO1

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

1-(Tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole chemical structure, C18H25BN2O3, CAS 1158680-98-8
1-(Tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS 1158680-98-8C18H25BN2O3
5-Methyl-1-(tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole chemical structure, C19H27BN2O3, CAS 2072805-66-2
5-Methyl-1-(tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS 2072805-66-2C19H27BN2O3
5-Chloro-1-(tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole chemical structure, C18H24BClN2O3, CAS 2072808-93-4
5-Chloro-1-(tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS 2072808-93-4C18H24BClN2O3
3-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole chemical structure, C18H24BFN2O3, CAS 2883044-83-3
3-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS 2883044-83-3C18H24BFN2O3