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Murcko scaffold

Ring system with 3 rings and 17 atoms

13 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
13
With full pages
8
Scaffold SMILES

O=C1CCCC2=C1C(c1ccncc1)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(c1ccncc1)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 13 of 13 chemicals

Methyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C19H22N2O3, CAS 292853-22-6
Methyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 292853-22-6C19H22N2O3
Methyl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C17H18N2O3, CAS 306750-00-5
Methyl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 306750-00-5C17H18N2O3
Propan-2-yl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C19H22N2O3, CAS 298706-72-6
Propan-2-yl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 298706-72-6C19H22N2O3
2-Propoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C23H30N2O4, CAS 347353-08-6
2-Propoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347353-08-6C23H30N2O4
2-Methoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C21H26N2O4, CAS 299450-47-8
2-Methoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299450-47-8C21H26N2O4
Propyl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C19H22N2O3, CAS 299452-01-0
Propyl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299452-01-0C19H22N2O3
4-(3-Fluoro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C18H18FN3O, CAS 853312-45-5
4-(3-Fluoro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 853312-45-5C18H18FN3O
Ethyl 4-(3-fluoro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C20H23FN2O3, CAS 853313-36-7
Ethyl 4-(3-fluoro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853313-36-7C20H23FN2O3
Methyl 4-(3-fluoro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C19H21FN2O3, CAS 853313-80-1
Methyl 4-(3-fluoro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853313-80-1C19H21FN2O3
Methyl 4-(3-chloro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C19H21ClN2O3, CAS 853312-99-9
Methyl 4-(3-chloro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853312-99-9C19H21ClN2O3
4-(3,5-Dichloro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C18H17Cl2N3O, CAS 853316-77-5
4-(3,5-Dichloro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 853316-77-5C18H17Cl2N3O
Ethyl 4-(3-chloro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C20H23ClN2O3, CAS 853328-38-8
Ethyl 4-(3-chloro-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853328-38-8C20H23ClN2O3
Ethyl 4-(3-bromo-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C20H23BrN2O3, CAS 853333-74-1
Ethyl 4-(3-bromo-4-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 853333-74-1C20H23BrN2O3