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Murcko scaffold

Ring system with 4 rings and 17 atoms

3 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
17
Chemicals
3
With full pages
3
Scaffold SMILES

O=C1C2C3C=CC(C3)C2C(=O)N1c1cccs1

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=C1C2C3C=CC(C3)C2C(=O)N1c1cccs1

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 3 of 3 chemicals

2-(1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4,5-dimethylthiophene-3-carbonitrile chemical structure, C16H14N2O2S, CAS 386702-13-2
2-(1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4,5-dimethylthiophene-3-carbonitrile
CAS 386702-13-2C16H14N2O2S
Ethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-5-methylthiophene-3-carboxylate chemical structure, C17H17NO4S, CAS 1005108-49-5
Ethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-5-methylthiophene-3-carboxylate
CAS 1005108-49-5C17H17NO4S
Methyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-5-ethylthiophene-3-carboxylate chemical structure, C17H17NO4S, CAS 1005107-97-0
Methyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-5-ethylthiophene-3-carboxylate
CAS 1005107-97-0C17H17NO4S