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Murcko scaffold

Ring system with 4 rings and 22 atoms

59 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
59
With full pages
54
Scaffold SMILES

O=C1CCCC2=C1C(c1cccs1)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(c1cccs1)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 48 of 59 chemicals

2-Amino-4-(5-ethyl-2-thienyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H20N4O3S, CAS 441783-27-3
2-Amino-4-(5-ethyl-2-thienyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 441783-27-3C22H20N4O3S
2-Amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile chemical structure, C22H20N4O3S, CAS 311323-68-9
2-Amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS 311323-68-9C22H20N4O3S
4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinolin-1-yl)benzenesulfonamide chemical structure, C22H22N4O3S2, CAS 717891-32-2
4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinolin-1-yl)benzenesulfonamide
CAS 717891-32-2C22H22N4O3S2
2-Amino-1-(4-methylphenyl)-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H19N3OS, CAS 476483-55-3
2-Amino-1-(4-methylphenyl)-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 476483-55-3C21H19N3OS
2-Amino-1-(2-chloro-4-nitrophenyl)-4-(5-ethyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H19ClN4O3S, CAS 441783-00-2
2-Amino-1-(2-chloro-4-nitrophenyl)-4-(5-ethyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 441783-00-2C22H19ClN4O3S
2-Amino-4-(5-tert-butylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile chemical structure, C24H24N4O3S, CAS 311318-19-1
2-Amino-4-(5-tert-butylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS 311318-19-1C24H24N4O3S
2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H20N4O3S, CAS 311323-43-0
2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311323-43-0C22H20N4O3S
2-Amino-1-(4-bromophenyl)-4-(4-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H19Br2N3OS, CAS 311316-59-3
2-Amino-1-(4-bromophenyl)-4-(4-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311316-59-3C22H19Br2N3OS
2-Amino-4-(5-tert-butyl-2-thienyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C27H27ClF3N3OS, CAS 350497-94-8
2-Amino-4-(5-tert-butyl-2-thienyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 350497-94-8C27H27ClF3N3OS
2-Amino-1-(2-chloro-4-nitrophenyl)-4-(5-ethyl-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C24H23ClN4O3S, CAS 441783-02-4
2-Amino-1-(2-chloro-4-nitrophenyl)-4-(5-ethyl-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 441783-02-4C24H23ClN4O3S
2-Amino-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H20ClN3OS, CAS 312535-48-1
2-Amino-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312535-48-1C22H20ClN3OS
2-Amino-1-(3-bromophenyl)-4-(5-ethyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H20BrN3OS, CAS 441783-23-9
2-Amino-1-(3-bromophenyl)-4-(5-ethyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 441783-23-9C22H20BrN3OS
2-Amino-1-(4-bromo-2-fluorophenyl)-4-(5-ethyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H19BrFN3OS, CAS 441783-10-4
2-Amino-1-(4-bromo-2-fluorophenyl)-4-(5-ethyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 441783-10-4C22H19BrFN3OS
2-Amino-4-(5-ethyl-2-thienyl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C25H26N4O3S, CAS 441783-42-2
2-Amino-4-(5-ethyl-2-thienyl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 441783-42-2C25H26N4O3S
2-Amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C27H30ClN3OS, CAS 311792-90-2
2-Amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311792-90-2C27H30ClN3OS
2-Amino-4-(4-bromo-2-thienyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H19BrN4O3S, CAS 311318-26-0
2-Amino-4-(4-bromo-2-thienyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311318-26-0C22H19BrN4O3S
2-Amino-4-(5-tert-butyl-2-thienyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C25H24F3N3OS, CAS 311784-12-0
2-Amino-4-(5-tert-butyl-2-thienyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311784-12-0C25H24F3N3OS
2-Amino-4-(4-bromo-2-thienyl)-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H18BrN3OS, CAS 311320-85-1
2-Amino-4-(4-bromo-2-thienyl)-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311320-85-1C21H18BrN3OS
Ethyl 2-amino-4-(5-tert-butyl-2-thienyl)-1-{3-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C28H33N3O5S, CAS 311789-11-4
Ethyl 2-amino-4-(5-tert-butyl-2-thienyl)-1-{3-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 311789-11-4C28H33N3O5S
Ethyl 2-amino-1-(4-chlorophenyl)-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C22H21ClN2O3S, CAS 350612-35-0
Ethyl 2-amino-1-(4-chlorophenyl)-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 350612-35-0C22H21ClN2O3S
2-Amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H20ClN3OS, CAS 311327-30-7
2-Amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311327-30-7C22H20ClN3OS
2-Amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C22H19BrN4O3S, CAS 311323-41-8
2-Amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311323-41-8C22H19BrN4O3S
2-Amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C23H22BrN3OS, CAS 311325-89-0
2-Amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311325-89-0C23H22BrN3OS
2-Amino-4-(5-tert-butyl-2-thienyl)-1-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C24H24FN3OS, CAS 311793-42-7
2-Amino-4-(5-tert-butyl-2-thienyl)-1-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311793-42-7C24H24FN3OS