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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
3
Scaffold SMILES

O=C1CCCC2=C1C(c1ccsc1)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(c1ccsc1)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

Methyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C18H21NO3S, CAS 330208-61-2
Methyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 330208-61-2C18H21NO3S
2-(Ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C21H27NO3S2, CAS 421569-74-6
2-(Ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 421569-74-6C21H27NO3S2
2-Amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile chemical structure, C18H22N4OS, CAS 421577-74-4
2-Amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CAS 421577-74-4C18H22N4OS
Isobutyl 2-methyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C19H23NO3S, CAS 347319-70-4
Isobutyl 2-methyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 347319-70-4C19H23NO3S