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Murcko scaffold

Ring system with 5 rings and 26 atoms

17 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
26
Chemicals
17
With full pages
11
Scaffold SMILES

O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C=CN2c1ccccc1

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(c1ccc3c(c1)OCO3)C=CN2c1ccccc1

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 17 of 17 chemicals

2-Amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H18BrN3O3, CAS 311332-80-6
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311332-80-6C23H18BrN3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile chemical structure, C25H22BrN3O3, CAS 311320-43-1
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CAS 311320-43-1C25H22BrN3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile chemical structure, C23H17ClN4O5, CAS 438530-41-7
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS 438530-41-7C23H17ClN4O5
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C25H22ClN3O3, CAS 312536-74-6
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312536-74-6C25H22ClN3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C24H17ClF3N3O3, CAS 339337-77-8
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 339337-77-8C24H17ClF3N3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C24H20ClN3O3, CAS 311328-60-6
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311328-60-6C24H20ClN3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C25H22N4O5, CAS 311315-51-2
2-Amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311315-51-2C25H22N4O5
4-(2-Amino-4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)benzenesulfonamide chemical structure, C23H20N4O5S, CAS 311782-80-6
4-(2-Amino-4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)benzenesulfonamide
CAS 311782-80-6C23H20N4O5S
2-Amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C26H22F3N3O3, CAS 311774-17-1
2-Amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311774-17-1C26H22F3N3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H18ClN3O3, CAS 312536-73-5
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312536-73-5C23H18ClN3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C26H24ClN3O3, CAS 311324-61-5
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311324-61-5C26H24ClN3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H18N4O5, CAS 311318-13-5
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311318-13-5C23H18N4O5
2-Amino-4-(1,3-benzodioxol-5-yl)-1-{2-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H18N4O5, CAS 311798-51-3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-{2-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311798-51-3C23H18N4O5
2-Amino-1-{4-fluoro-3-nitrophenyl}-4-{6-nitro-1,3-benzodioxol-5-yl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H16FN5O7, CAS 514800-40-9
2-Amino-1-{4-fluoro-3-nitrophenyl}-4-{6-nitro-1,3-benzodioxol-5-yl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 514800-40-9C23H16FN5O7
2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C24H18F3N3O3, CAS 339318-77-3
2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 339318-77-3C24H18F3N3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile chemical structure, C23H17BrFN3O3, CAS 438530-03-1
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS 438530-03-1C23H17BrFN3O3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H18ClN3O3, CAS 311330-83-3
2-Amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311330-83-3C23H18ClN3O3