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Murcko scaffold

Ring system with 3 rings and 18 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
4
With full pages
0
Scaffold SMILES

O=C(Cn1cnnn1)NC1C(=O)N2C=CCSC12

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=C(Cn1cnnn1)NC1C(=O)N2C=CCSC12

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 4 of 4 chemicals

(6R-Trans)-3-(Acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C13H14N6O6S, CAS 32510-61-5
(6R-Trans)-3-(Acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS 32510-61-5C13H14N6O6S
Sodium (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C13H13N6NaO6S, CAS 27164-45-0
Sodium (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS 27164-45-0C13H13N6NaO6S
Cefazolin 3-hydroxymethyl impurity chemical structure, C11H12N6O5S, CAS 478494-71-2
Cefazolin 3-hydroxymethyl impurity
CAS 478494-71-2C11H12N6O5S
Cefazolin impurity C chemical structure, C11H12N6O4S, CAS 56842-77-4
Cefazolin impurity C
CAS 56842-77-4C11H12N6O4S