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Murcko scaffold

Ring system with 4 rings and 23 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
4
With full pages
0
Scaffold SMILES

O=C(NC1C(=O)N2CCSC12)c1ccccc1-c1ccccc1

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(NC1C(=O)N2CCSC12)c1ccccc1-c1ccccc1

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

Diphenicillin chemical structure, C21H20N2O4S, CAS 304-43-8
Diphenicillin
CAS 304-43-8C21H20N2O4S
2-(2'-Carboxyphenyl)benzoyl-6-aminopenicillanic acid chemical structure, C22H20N2O6S, CAS 14796-35-1
2-(2'-Carboxyphenyl)benzoyl-6-aminopenicillanic acid
CAS 14796-35-1C22H20N2O6S
Diphenicillin sodium chemical structure, C21H19N2NaO4S, CAS 2289-50-1
Diphenicillin sodium
CAS 2289-50-1C21H19N2NaO4S
(2S,5R,6R)-6-[[2-(2-Carboxyphenyl)benzoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, N,N-diethylethanamine chemical structure, C28H35N3O6S, CAS 2120-78-7
(2S,5R,6R)-6-[[2-(2-Carboxyphenyl)benzoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, N,N-diethylethanamine
CAS 2120-78-7C28H35N3O6S