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Murcko scaffold

Ring system with 2 rings and 9 atoms

5 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
9
Chemicals
5
With full pages
0
Scaffold SMILES

C=C1C(=O)N2C=CCC12

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 C=C1C(=O)N2C=CCC12

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

Antibiotic 6643-X chemical structure, C14H18N2O5S, CAS 82889-90-5
Antibiotic 6643-X
CAS 82889-90-5C14H18N2O5S
Asparenomycin chemical structure, C14H16N2O6S, CAS 76466-24-5
Asparenomycin
CAS 76466-24-5C14H16N2O6S
(5R,6E)-3-[(E)-2-Acetamidoethenyl]sulfanyl-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid chemical structure, C14H16N2O5S, CAS 81018-71-5
(5R,6E)-3-[(E)-2-Acetamidoethenyl]sulfanyl-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS 81018-71-5C14H16N2O5S
Orb2943016 chemical structure, C14H18N2O6S, CAS 79366-72-6
Orb2943016
CAS 79366-72-6C14H18N2O6S
6-Ethylidene-7-oxo-3-sulfo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid chemical structure, C9H9NO6S, CAS 85618-29-7
6-Ethylidene-7-oxo-3-sulfo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS 85618-29-7C9H9NO6S