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Murcko scaffold

Ring system with 4 rings and 25 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
10
With full pages
5
Scaffold SMILES

O=C1CCCC2=C1C(c1cccc(OCc3ccccc3)c1)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(c1cccc(OCc3ccccc3)c1)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 10 of 10 chemicals

2-Methoxyethyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C29H33NO5, CAS 347352-31-2
2-Methoxyethyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347352-31-2C29H33NO5
Butan-2-yl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C29H33NO5, CAS 347312-93-0
Butan-2-yl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347312-93-0C29H33NO5
Methyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C27H29NO4, CAS 126342-53-8
Methyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 126342-53-8C27H29NO4
RefChem:314024 chemical structure, C29H33NO5S, CAS 5804-65-9
RefChem:314024
CAS 5804-65-9C29H33NO5S
Methyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C26H27NO5, CAS 347315-11-1
Methyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347315-11-1C26H27NO5
4-(3-((4-Fluorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C26H25FN2O2, CAS 853315-22-7
4-(3-((4-Fluorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 853315-22-7C26H25FN2O2
Methyl 4-(3-((4-fluorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C27H28FNO4, CAS 853315-26-1
Methyl 4-(3-((4-fluorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853315-26-1C27H28FNO4
Methyl 4-(3-((4-chlorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C27H28ClNO4, CAS 853316-51-5
Methyl 4-(3-((4-chlorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853316-51-5C27H28ClNO4
Ethyl 4-(3-((4-chlorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C28H30ClNO4, CAS 853316-55-9
Ethyl 4-(3-((4-chlorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853316-55-9C28H30ClNO4
4-(3-((4-Chlorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C26H25ClN2O2, CAS 853316-57-1
4-(3-((4-Chlorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 853316-57-1C26H25ClN2O2