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Murcko scaffold

Ring system with 4 rings and 29 atoms

115 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
115
With full pages
2
Scaffold SMILES

O=C(CSc1nc(-c2ccccc2)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(-c2ccccc2)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 48 of 115 chemicals

N-(3,5-Dimethylphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C24H22FN5O3S, CAS 852169-95-0
N-(3,5-Dimethylphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852169-95-0C24H22FN5O3S
N-(5-Chloro-2-methoxyphenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide chemical structure, C23H19ClFN5O4S, CAS 852170-22-0
N-(5-Chloro-2-methoxyphenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CAS 852170-22-0C23H19ClFN5O4S
N-(3-Chloro-4-methylphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C23H19ClFN5O3S, CAS 852170-19-5
N-(3-Chloro-4-methylphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852170-19-5C23H19ClFN5O3S
N-(4-Fluorophenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C22H17F2N5O3S, CAS 852170-07-1
N-(4-Fluorophenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852170-07-1C22H17F2N5O3S
N-(4-Ethoxyphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C24H22FN5O4S, CAS 852170-28-6
N-(4-Ethoxyphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852170-28-6C24H22FN5O4S
N-(4-Ethylphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C24H22FN5O3S, CAS 852169-99-4
N-(4-Ethylphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852169-99-4C24H22FN5O3S
2-((2-(4-Fluorophenyl)-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, C23H17F4N5O3S, CAS 852170-40-2
2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CAS 852170-40-2C23H17F4N5O3S
2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide chemical structure, C23H20FN5O4S, CAS 852170-24-2
2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide
CAS 852170-24-2C23H20FN5O4S
2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-phenylacetamide chemical structure, C22H18FN5O3S, CAS 852169-85-8
2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-phenylacetamide
CAS 852169-85-8C22H18FN5O3S
2-[7-(4-Fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide chemical structure, C23H17F4N5O4S, CAS 852170-46-8
2-[7-(4-Fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS 852170-46-8C23H17F4N5O4S
2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(o-tolyl)acetamide chemical structure, C23H20FN5O3S, CAS 852169-89-2
2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(o-tolyl)acetamide
CAS 852169-89-2C23H20FN5O3S
N-(2,4-Dimethoxyphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C24H22FN5O5S, CAS 852170-30-0
N-(2,4-Dimethoxyphenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852170-30-0C24H22FN5O5S
2-[7-(4-Fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide chemical structure, C23H17F4N5O3S, CAS 852170-38-8
2-[7-(4-Fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CAS 852170-38-8C23H17F4N5O3S
2-[7-(4-Fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide chemical structure, C22H17FN6O5S, CAS 852170-48-0
2-[7-(4-Fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CAS 852170-48-0C22H17FN6O5S
N-(2-Fluorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide chemical structure, C22H17F2N5O3S, CAS 852170-03-7
N-(2-Fluorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CAS 852170-03-7C22H17F2N5O3S
Ethyl 4-(2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamido)benzoate chemical structure, C25H22FN5O5S, CAS 852170-50-4
Ethyl 4-(2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamido)benzoate
CAS 852170-50-4C25H22FN5O5S
N-(2,4-Difluorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide chemical structure, C22H16F3N5O3S, CAS 852170-15-1
N-(2,4-Difluorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CAS 852170-15-1C22H16F3N5O3S
N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C23H16ClF4N5O3S, CAS 852170-44-6
N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852170-44-6C23H16ClF4N5O3S
N-(3,4-Dichlorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide chemical structure, C22H16Cl2FN5O3S, CAS 852170-17-3
N-(3,4-Dichlorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CAS 852170-17-3C22H16Cl2FN5O3S
2-[7-(4-Methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide chemical structure, C24H23N5O4S, CAS 852171-65-4
2-[7-(4-Methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
CAS 852171-65-4C24H23N5O4S
N-(3-Chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C24H22ClN5O4S, CAS 852168-43-5
N-(3-Chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-43-5C24H22ClN5O4S
N-(4-Acetylphenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C25H23N5O5S, CAS 852168-75-3
N-(4-Acetylphenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-75-3C25H23N5O5S
N-(4-Chlorophenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C23H20ClN5O4S, CAS 852171-74-5
N-(4-Chlorophenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852171-74-5C23H20ClN5O4S
N-(2,5-Dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C25H25N5O6S, CAS 852168-55-9
N-(2,5-Dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-55-9C25H25N5O6S