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Murcko scaffold

Ring system with 5 rings and 29 atoms

12 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 29
Chemicals: 12
With full pages: 8

Scaffold SMILES

O=C1CC(c2ccccc2)CC2=C1C(c1ccccc1)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=C1CC(c2ccccc2)CC2=C1C(c1ccccc1)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 12 of 12 chemicals

2-Amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C28H21Cl2N3O, CAS 444927-67-7

2-Amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 444927-67-7C₂₈H₂₁Cl₂N₃O

2-Amino-1-(2-methyl-5-nitrophenyl)-4-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C30H26N4O3, CAS 445022-05-9

2-Amino-1-(2-methyl-5-nitrophenyl)-4-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 445022-05-9C₃₀H₂₆N₄O₃

2-Amino-4-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile chemical structure, C28H20Cl2N4O3, CAS 445021-89-6

2-Amino-4-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

CAS 445021-89-6C₂₈H₂₀Cl₂N₄O₃

2-Amino-1-(4-chloro-3-nitrophenyl)-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C29H20ClF3N4O3, CAS 476483-54-2

2-Amino-1-(4-chloro-3-nitrophenyl)-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 476483-54-2C₂₉H₂₀ClF₃N₄O₃

2-Amino-4-(4-methoxyphenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C30H26N4O4, CAS 444928-01-2

2-Amino-4-(4-methoxyphenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 444928-01-2C₃₀H₂₆N₄O₄

2-Amino-4-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C29H23ClN4O3, CAS 444933-65-7

2-Amino-4-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 444933-65-7C₂₉H₂₃ClN₄O₃

2-Amino-1-(4-nitrophenyl)-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C28H22N4O3, CAS 444924-89-4

2-Amino-1-(4-nitrophenyl)-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 444924-89-4C₂₈H₂₂N₄O₃

2-Amino-1-(3-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C30H27ClN4O, CAS 444926-65-2

2-Amino-1-(3-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 444926-65-2C₃₀H₂₇ClN₄O

2-Amino-1-{4-ethoxy-2-nitrophenyl}-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile chemical structure, C31H28N4O4, CAS 514855-86-8

2-Amino-1-{4-ethoxy-2-nitrophenyl}-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

CAS 514855-86-8C₃₁H₂₈N₄O₄

2-Amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C30H25ClN4O4, CAS 444930-45-4

2-Amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 444930-45-4C₃₀H₂₅ClN₄O₄

2-Amino-1-{4-chloro-3-nitrophenyl}-4-(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile chemical structure, C28H20Cl2N4O3, CAS 444933-82-8

2-Amino-1-{4-chloro-3-nitrophenyl}-4-(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

CAS 444933-82-8C₂₈H₂₀Cl₂N₄O₃

2-Amino-4-(4-bromophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C29H23BrN4O3, CAS 444926-33-4

2-Amino-4-(4-bromophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

CAS 444926-33-4C₂₉H₂₃BrN₄O₃