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Murcko scaffold

Ring system with 4 rings and 23 atoms

18 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
18
With full pages
18
Scaffold SMILES

O=C1CCCC2=C1C(c1cccnc1)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(c1cccnc1)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 18 of 18 chemicals

2-Amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C24H24N4O, CAS 311316-61-7
2-Amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311316-61-7C24H24N4O
2-Amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H22N4O, CAS 296771-47-6
2-Amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 296771-47-6C23H22N4O
2-Amino-1-(4-methylphenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H20N4O, CAS 311320-47-5
2-Amino-1-(4-methylphenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311320-47-5C22H20N4O
2-Amino-1-(4-bromophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H17BrN4O, CAS 311331-25-6
2-Amino-1-(4-bromophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311331-25-6C21H17BrN4O
2-Amino-1-(4-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H17N5O3, CAS 311334-34-6
2-Amino-1-(4-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311334-34-6C21H17N5O3
2-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H16ClF3N4O, CAS 311773-57-6
2-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311773-57-6C22H16ClF3N4O
2-Amino-1-(3,4-dichlorophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H16Cl2N4O, CAS 312535-47-0
2-Amino-1-(3,4-dichlorophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312535-47-0C21H16Cl2N4O
2-Amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H21ClN4O, CAS 311318-20-4
2-Amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311318-20-4C23H21ClN4O
2-Amino-5-oxo-4-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H17F3N4O, CAS 311327-36-3
2-Amino-5-oxo-4-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311327-36-3C22H17F3N4O
2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H21N5O3, CAS 311334-40-4
2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311334-40-4C23H21N5O3
2-Amino-1-(3-methylphenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H20N4O, CAS 339336-45-7
2-Amino-1-(3-methylphenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 339336-45-7C22H20N4O
2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C24H23ClN4O, CAS 311324-62-6
2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311324-62-6C24H23ClN4O
2-Amino-5-oxo-1-PH-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H18N4O, CAS 339336-44-6
2-Amino-5-oxo-1-PH-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 339336-44-6C21H18N4O
2-Amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H21N5O3, CAS 311323-40-7
2-Amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311323-40-7C23H21N5O3
2-Amino-1-(3-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H17N5O3, CAS 296771-35-2
2-Amino-1-(3-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 296771-35-2C21H17N5O3
2-Amino-1-(4-chlorophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H17ClN4O, CAS 311334-36-8
2-Amino-1-(4-chlorophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311334-36-8C21H17ClN4O
2-Amino-1-(4-fluorophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H17FN4O, CAS 311776-36-0
2-Amino-1-(4-fluorophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311776-36-0C21H17FN4O
2-Amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H21BrN4O, CAS 311332-85-1
2-Amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311332-85-1C23H21BrN4O