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Murcko scaffold

Ring system with 3 rings and 19 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
6
With full pages
4
Scaffold SMILES

O=C1C2CC=CCC2C(=O)N1CNc1ccccc1

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=C1C2CC=CCC2C(=O)N1CNc1ccccc1

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

2-[(4-Acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chemical structure, C17H17ClN2O3, CAS 354551-26-1
2-[(4-Acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS 354551-26-1C17H17ClN2O3
2-(((4-Fluorophenyl)amino)methyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chemical structure, C15H15FN2O2, CAS 312612-63-8
2-(((4-Fluorophenyl)amino)methyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS 312612-63-8C15H15FN2O2
2-[(4-Acetylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione chemical structure, C17H18N2O3, CAS 345992-11-2
2-[(4-Acetylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CAS 345992-11-2C17H18N2O3
2-{[(3-Chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chemical structure, C16H17ClN2O2, CAS 326920-64-3
2-{[(3-Chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS 326920-64-3C16H17ClN2O2
2-(((4-Methoxyphenyl)amino)methyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chemical structure, C16H18N2O3, CAS 93019-69-3
2-(((4-Methoxyphenyl)amino)methyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS 93019-69-3C16H18N2O3
2-{[(2,5-Dimethylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chemical structure, C17H20N2O2, CAS 328272-83-9
2-{[(2,5-Dimethylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS 328272-83-9C17H20N2O2