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Murcko scaffold

Ring system with 4 rings and 28 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
10
With full pages
1
Scaffold SMILES

O=C(CSc1nc(C2CCCC2)nc2[nH]c(=O)[nH]c(=O)c12)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(CSc1nc(C2CCCC2)nc2[nH]c(=O)[nH]c(=O)c12)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 10 of 10 chemicals

2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide chemical structure, C22H25N5O3S, CAS 872612-50-5
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide
CAS 872612-50-5C22H25N5O3S
4-(2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamido)benzamide chemical structure, C22H24N6O4S, CAS 872620-06-9
4-(2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamido)benzamide
CAS 872620-06-9C22H24N6O4S
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide chemical structure, C21H22FN5O3S, CAS 872612-69-6
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide
CAS 872612-69-6C21H22FN5O3S
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide chemical structure, C22H22F3N5O3S, CAS 893909-25-6
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CAS 893909-25-6C22H22F3N5O3S
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-nitrophenyl)acetamide chemical structure, C21H22N6O5S, CAS 893909-31-4
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-nitrophenyl)acetamide
CAS 893909-31-4C21H22N6O5S
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide chemical structure, C21H22N6O5S, CAS 893909-35-8
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide
CAS 893909-35-8C21H22N6O5S
N-(3-Acetamidophenyl)-2-((2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C23H26N6O4S, CAS 893909-49-4
N-(3-Acetamidophenyl)-2-((2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 893909-49-4C23H26N6O4S
N-(4-Acetamidophenyl)-2-((2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C23H26N6O4S, CAS 893909-53-0
N-(4-Acetamidophenyl)-2-((2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 893909-53-0C23H26N6O4S
N-(5-Chloro-2-methoxyphenyl)-2-((2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C22H24ClN5O4S, CAS 893911-60-9
N-(5-Chloro-2-methoxyphenyl)-2-((2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 893911-60-9C22H24ClN5O4S
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide chemical structure, C22H22F3N5O3S, CAS 872619-61-9
2-((2-Cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide
CAS 872619-61-9C22H22F3N5O3S