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Murcko scaffold

Ring system with 3 rings and 18 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
7
With full pages
1
Scaffold SMILES

c1ccc(Oc2ccccc2N2CCCC2)cc1

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 c1ccc(Oc2ccccc2N2CCCC2)cc1

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 7 of 7 chemicals

Piretanide chemical structure, C17H18N2O5S, CAS 55837-27-9
Piretanide
CAS 55837-27-9C17H18N2O5S
Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-4-phenoxy-5-(1-pyrrolidinyl)benzoate chemical structure, C21H25N3O5S, CAS 60376-76-3
Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-4-phenoxy-5-(1-pyrrolidinyl)benzoate
CAS 60376-76-3C21H25N3O5S
4-(4-Hydroxyphenoxy)-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid chemical structure, C17H18N2O6S, CAS 90683-83-3
4-(4-Hydroxyphenoxy)-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid
CAS 90683-83-3C17H18N2O6S
Piretanide-d4 (major) chemical structure, C17H18N2O5S, CAS 1246816-90-9
Piretanide-d4 (major)
CAS 1246816-90-9C17H18N2O5S
Piretanide sodium chemical structure, C17H17N2NaO5S, CAS 112132-09-9
Piretanide sodium
CAS 112132-09-9C17H17N2NaO5S
Deuterated piretanide chemical structure, C17H18N2O5S, CAS 3085640-05-4
Deuterated piretanide
CAS 3085640-05-4C17H18N2O5S
Piretanide-d4 methyl ester (major) chemical structure, C18H20N2O5S, CAS 1794753-37-9
Piretanide-d4 methyl ester (major)
CAS 1794753-37-9C18H20N2O5S