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Murcko scaffold

Ring system with 3 rings and 15 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
6
With full pages
4
Scaffold SMILES

c1ccc(C2CCCc3[nH]ncc32)cc1

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 c1ccc(C2CCCc3[nH]ncc32)cc1

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 6 of 6 chemicals

2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3-(3-ethoxy-3-oxopropoxy)-6-hydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)- chemical structure, C22H28N2O6, CAS 64670-57-1
2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3-(3-ethoxy-3-oxopropoxy)-6-hydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-
CAS 64670-57-1C22H28N2O6
1H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 1,6-dimethyl-6-hydroxy-3-methoxy-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)- chemical structure, C19H24N2O4, CAS 64670-59-3
1H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 1,6-dimethyl-6-hydroxy-3-methoxy-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-
CAS 64670-59-3C19H24N2O4
1-(6-Hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)ethanone chemical structure, C17H20N2O2, CAS 101587-85-3
1-(6-Hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)ethanone
CAS 101587-85-3C17H20N2O2
1-[6-Hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone chemical structure, C18H22N2O2, CAS 484646-77-7
1-[6-Hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone
CAS 484646-77-7C18H22N2O2
1-[4-(4-Chlorophenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone chemical structure, C17H19ClN2O2, CAS 459147-80-9
1-[4-(4-Chlorophenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
CAS 459147-80-9C17H19ClN2O2
1-[4-(3-Fluorophenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone chemical structure, C17H19FN2O2, CAS 342394-73-4
1-[4-(3-Fluorophenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
CAS 342394-73-4C17H19FN2O2