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Murcko scaffold

Ring system with 3 rings and 23 atoms

18 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
18
With full pages
3
Scaffold SMILES

O=C1CC(c2ccccc2)C(C(=O)OCc2ccccc2)=CN1

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)C(C(=O)OCc2ccccc2)=CN1

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

Benzyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C20H17ClN2O5, CAS 329073-98-5
Benzyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 329073-98-5C20H17ClN2O5
Benzyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C20H17Cl2NO3, CAS 306285-79-0
Benzyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 306285-79-0C20H17Cl2NO3
Benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C20H17ClN2O5, CAS 329074-13-7
Benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 329074-13-7C20H17ClN2O5
4-Methoxybenzyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H19ClFNO4, CAS 314043-97-5
4-Methoxybenzyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 314043-97-5C21H19ClFNO4
Benzyl 2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H18F3NO3, CAS 297159-03-6
Benzyl 2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 297159-03-6C21H18F3NO3
Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C20H18N2O5, CAS 6238-95-5
Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 6238-95-5C20H18N2O5
Benzyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H18F3NO3, CAS 297158-87-3
Benzyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 297158-87-3C21H18F3NO3
Benzyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C20H17ClFNO3, CAS 303204-27-5
Benzyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 303204-27-5C20H17ClFNO3
Benzyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C20H18N2O5, CAS 297158-91-9
Benzyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 297158-91-9C20H18N2O5
4-Methoxybenzyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H19Cl2NO4, CAS 847508-80-9
4-Methoxybenzyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 847508-80-9C21H19Cl2NO4
4-Methylbenzyl 4-(2,6-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H19Cl2NO3, CAS 886637-11-2
4-Methylbenzyl 4-(2,6-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 886637-11-2C21H19Cl2NO3
4-Methoxybenzyl 2-methyl-6-oxo-4-(2-(trifluoromethyl)phenyl)-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C22H20F3NO4, CAS 886630-62-2
4-Methoxybenzyl 2-methyl-6-oxo-4-(2-(trifluoromethyl)phenyl)-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 886630-62-2C22H20F3NO4
4-Methoxybenzyl 4-(2-methoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C22H23NO5, CAS 886630-71-3
4-Methoxybenzyl 4-(2-methoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 886630-71-3C22H23NO5
4-Methoxybenzyl 2-methyl-6-oxo-4-(2-propoxyphenyl)-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C24H27NO5, CAS 886636-21-1
4-Methoxybenzyl 2-methyl-6-oxo-4-(2-propoxyphenyl)-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 886636-21-1C24H27NO5
4-Methylbenzyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H20ClNO3, CAS 886638-81-9
4-Methylbenzyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 886638-81-9C21H20ClNO3
4-Methylbenzyl 4-(4-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H20BrNO3, CAS 886638-86-4
4-Methylbenzyl 4-(4-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 886638-86-4C21H20BrNO3
4-Methoxybenzyl 4-(2,4-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H19Cl2NO4, CAS 847508-78-5
4-Methoxybenzyl 4-(2,4-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 847508-78-5C21H19Cl2NO4
4-Methoxybenzyl 4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C21H20FNO4, CAS 847508-82-1
4-Methoxybenzyl 4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS 847508-82-1C21H20FNO4