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Murcko scaffold

Ring system with 3 rings and 27 atoms

150 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
27
Chemicals
150
With full pages
4
Scaffold SMILES

O=C(CSc1ncc(NC(=O)c2ccccc2)c(=O)[nH]1)Nc1ccccc1

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=C(CSc1ncc(NC(=O)c2ccccc2)c(=O)[nH]1)Nc1ccccc1

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 150 chemicals

N-(4-Amino-2-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C21H20N6O7S, CAS 868228-02-8
N-(4-Amino-2-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868228-02-8C21H20N6O7S
N-(4-Amino-2-((2-((3-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)benzamide chemical structure, C19H16N6O5S, CAS 888413-94-3
N-(4-Amino-2-((2-((3-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)benzamide
CAS 888413-94-3C19H16N6O5S
N-(4-Amino-2-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)benzamide chemical structure, C19H16N6O5S, CAS 888413-95-4
N-(4-Amino-2-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)benzamide
CAS 888413-95-4C19H16N6O5S
N-(4-Amino-2-((2-((3-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide chemical structure, C19H15FN6O5S, CAS 888417-47-8
N-(4-Amino-2-((2-((3-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide
CAS 888417-47-8C19H15FN6O5S
N-(4-Amino-2-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide chemical structure, C19H15FN6O5S, CAS 888417-50-3
N-(4-Amino-2-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide
CAS 888417-50-3C19H15FN6O5S
N-(4-Amino-2-((2-((3-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide chemical structure, C19H15FN6O5S, CAS 888423-99-2
N-(4-Amino-2-((2-((3-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CAS 888423-99-2C19H15FN6O5S
N-(4-Amino-2-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-bromobenzamide chemical structure, C19H15BrN6O5S, CAS 888433-64-5
N-(4-Amino-2-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-bromobenzamide
CAS 888433-64-5C19H15BrN6O5S
N-(4-Amino-2-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C21H20BrN5O5S, CAS 868227-06-9
N-(4-Amino-2-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-06-9C21H20BrN5O5S
N-(4-Amino-2-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C21H20FN5O5S, CAS 868227-01-4
N-(4-Amino-2-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-01-4C21H20FN5O5S
N-(4-Amino-6-oxo-2-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H20F3N5O5S, CAS 868227-99-0
N-(4-Amino-6-oxo-2-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-99-0C22H20F3N5O5S
N-(4-Amino-2-((2-((2,3-dimethylphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C23H25N5O5S, CAS 868226-97-5
N-(4-Amino-2-((2-((2,3-dimethylphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868226-97-5C23H25N5O5S
N-(4-Amino-6-oxo-2-((2-oxo-2-(m-tolylamino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H23N5O5S, CAS 868226-95-3
N-(4-Amino-6-oxo-2-((2-oxo-2-(m-tolylamino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868226-95-3C22H23N5O5S
N-(4-Amino-2-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C21H20ClN5O5S, CAS 868227-04-7
N-(4-Amino-2-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-04-7C21H20ClN5O5S
N-(4-Amino-2-((2-((3-fluorophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C21H20FN5O5S, CAS 868227-02-5
N-(4-Amino-2-((2-((3-fluorophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-02-5C21H20FN5O5S
N-(4-Amino-2-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H19ClF3N5O5S, CAS 868228-01-7
N-(4-Amino-2-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868228-01-7C22H19ClF3N5O5S
N-[4-Amino-2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-6-oxo-1,6-dihydropyrimidin-5-yl]-3,4-dimethoxybenzamide chemical structure, C22H23N5O6S, CAS 6215-67-4
N-[4-Amino-2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-6-oxo-1,6-dihydropyrimidin-5-yl]-3,4-dimethoxybenzamide
CAS 6215-67-4C22H23N5O6S
N-(4-Amino-2-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H22ClN5O5S, CAS 868227-09-2
N-(4-Amino-2-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-09-2C22H22ClN5O5S
N-(4-Amino-2-((2-((3,4-dichlorophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C21H19Cl2N5O5S, CAS 868227-08-1
N-(4-Amino-2-((2-((3,4-dichlorophenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-08-1C21H19Cl2N5O5S
N-(4-Amino-2-((2-((2-methoxyphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H23N5O6S, CAS 868227-10-5
N-(4-Amino-2-((2-((2-methoxyphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-10-5C22H23N5O6S
N-(4-Amino-2-((2-((2,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C23H25N5O7S, CAS 868227-14-9
N-(4-Amino-2-((2-((2,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-14-9C23H25N5O7S
N-(4-Amino-2-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H23N5O6S, CAS 868227-12-7
N-(4-Amino-2-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-12-7C22H23N5O6S
N-(4-Amino-2-((2-((4-butylphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C25H29N5O5S, CAS 868227-00-3
N-(4-Amino-2-((2-((4-butylphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868227-00-3C25H29N5O5S
N-(4-Amino-6-oxo-2-((2-oxo-2-(p-tolylamino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H23N5O5S, CAS 868226-96-4
N-(4-Amino-6-oxo-2-((2-oxo-2-(p-tolylamino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868226-96-4C22H23N5O5S
Ethyl 4-(2-((4-amino-5-(3,4-dimethoxybenzamido)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate chemical structure, C24H25N5O7S, CAS 868228-03-9
Ethyl 4-(2-((4-amino-5-(3,4-dimethoxybenzamido)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate
CAS 868228-03-9C24H25N5O7S