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Murcko scaffold

2-Benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione scaffold

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
5
With full pages
3
Scaffold SMILES

O=C1C2CC=CCC2C(=O)N1Cc1ccccc1

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 2-Benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione page
Murcko scaffold O=C1C2CC=CCC2C(=O)N1Cc1ccccc1

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

2-Benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chemical structure, C15H15NO2, CAS 130076-29-8
2-Benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS 130076-29-8C15H15NO2
2-Benzyl-5,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chemical structure, C17H19NO2, CAS 145673-86-5
2-Benzyl-5,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS 145673-86-5C17H19NO2
2-Benzyl-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chemical structure, C16H17NO2, CAS 310452-11-0
2-Benzyl-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS 310452-11-0C16H17NO2
2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione chemical structure, C15H14ClNO2, CAS 22942-88-7
2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CAS 22942-88-7C15H14ClNO2
(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)(phenyl)acetic acid chemical structure, C16H15NO4, CAS 1103845-15-3
(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)(phenyl)acetic acid
CAS 1103845-15-3C16H15NO4