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Murcko scaffold

Barrelene scaffold

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
8
Chemicals
5
With full pages
1
Scaffold SMILES

C1=CC2C=CC1C=C2

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 Barrelene page
Murcko scaffold C1=CC2C=CC1C=C2

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

Barrelene chemical structure, C8H8, CAS 500-24-3
Barrelene
CAS 500-24-3C8H8
Bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile chemical structure, C10H6N2, CAS 18341-68-9
Bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile
CAS 18341-68-9C10H6N2
Bicyclo[2.2.2]octa-2,5,7-triene, 2,3-bis(trifluoromethyl)- chemical structure, C10H6F6, CAS 781-13-5
Bicyclo[2.2.2]octa-2,5,7-triene, 2,3-bis(trifluoromethyl)-
CAS 781-13-5C10H6F6
5,6,7,8-Tetramethylbicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile chemical structure, C14H14N2, CAS 19004-90-1
5,6,7,8-Tetramethylbicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile
CAS 19004-90-1C14H14N2
Bicyclo[2.2.2]octa-2,5,7-trien-2-amine chemical structure, C8H9N, CAS 573929-58-5
Bicyclo[2.2.2]octa-2,5,7-trien-2-amine
CAS 573929-58-5C8H9N