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Murcko scaffold

Ring system with 3 rings and 16 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
4
With full pages
4
Scaffold SMILES

O=C1CCCC2=C1C(c1nccs1)C=CN2

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=C1CCCC2=C1C(c1nccs1)C=CN2

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

2,7,7-Trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C17H19N3OS, CAS 853329-13-2
2,7,7-Trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 853329-13-2C17H19N3OS
Methyl 2,7,7-trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C18H22N2O3S, CAS 853329-76-7
Methyl 2,7,7-trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853329-76-7C18H22N2O3S
Ethyl 2,7,7-trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C19H24N2O3S, CAS 853330-31-1
Ethyl 2,7,7-trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853330-31-1C19H24N2O3S
2,7,7-Trimethyl-5-oxo-4-(1,3-thiazol-2-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C16H17N3OS, CAS 853332-86-2
2,7,7-Trimethyl-5-oxo-4-(1,3-thiazol-2-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 853332-86-2C16H17N3OS