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Murcko scaffold

Ring system with 3 rings and 27 atoms

11 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
27
Chemicals
11
With full pages
3
Scaffold SMILES

O=C(CSc1ncc(NC(=O)c2ccccc2)c(=O)[nH]1)NCC1CCCO1

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)NCC1CCCO1

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 11 of 11 chemicals

N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-2-methyl-3-nitrobenzamide chemical structure, C19H22N6O6S, CAS 888419-71-4
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-2-methyl-3-nitrobenzamide
CAS 888419-71-4C19H22N6O6S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C20H25N5O6S, CAS 868228-09-5
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868228-09-5C20H25N5O6S
N-(4-Acetamido-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide chemical structure, C20H22FN5O5S, CAS 872608-84-9
N-(4-Acetamido-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide
CAS 872608-84-9C20H22FN5O5S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-methoxybenzamide chemical structure, C19H23N5O5S, CAS 888418-47-1
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-methoxybenzamide
CAS 888418-47-1C19H23N5O5S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-difluorobenzamide chemical structure, C18H19F2N5O4S, CAS 888428-04-4
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-3,4-difluorobenzamide
CAS 888428-04-4C18H19F2N5O4S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-methylbenzamide chemical structure, C19H23N5O4S, CAS 888425-17-0
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-methylbenzamide
CAS 888425-17-0C19H23N5O4S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide chemical structure, C18H20FN5O4S, CAS 888418-00-6
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide
CAS 888418-00-6C18H20FN5O4S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide chemical structure, C18H20FN5O4S, CAS 888424-85-9
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CAS 888424-85-9C18H20FN5O4S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-chlorobenzamide chemical structure, C18H20ClN5O4S, CAS 888435-07-2
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-chlorobenzamide
CAS 888435-07-2C18H20ClN5O4S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-ethoxybenzamide chemical structure, C20H25N5O5S, CAS 888418-52-8
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-ethoxybenzamide
CAS 888418-52-8C20H25N5O5S
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)benzamide chemical structure, C18H21N5O4S, CAS 888414-14-0
N-(4-Amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)benzamide
CAS 888414-14-0C18H21N5O4S