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Murcko scaffold

Ring system with 4 rings and 28 atoms

22 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
22
With full pages
1
Scaffold SMILES

O=C(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)N1CCCCC1

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)N1CCCCC1

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 22 of 22 chemicals

7-(4-Methoxyphenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C22H25N5O4S, CAS 852171-54-1
7-(4-Methoxyphenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852171-54-1C22H25N5O4S
7-(4-Methoxyphenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C23H27N5O4S, CAS 852171-58-5
7-(4-Methoxyphenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852171-58-5C23H27N5O4S
7-(3,4-Dimethoxyphenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C24H29N5O5S, CAS 893908-34-4
7-(3,4-Dimethoxyphenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893908-34-4C24H29N5O5S
1,3-Dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H23N5O3S, CAS 887214-89-3
1,3-Dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 887214-89-3C21H23N5O3S
7-(4-Fluorophenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H22FN5O3S, CAS 852169-67-6
7-(4-Fluorophenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852169-67-6C21H22FN5O3S
7-(4-Fluorophenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C22H24FN5O3S, CAS 852169-73-4
7-(4-Fluorophenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852169-73-4C22H24FN5O3S
1,3-Dimethyl-7-(4-nitrophenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H22N6O5S, CAS 847190-28-7
1,3-Dimethyl-7-(4-nitrophenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 847190-28-7C21H22N6O5S
1,3-Dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C22H24N6O5S, CAS 847190-31-2
1,3-Dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 847190-31-2C22H24N6O5S
7-(2-Methoxyphenyl)-1,3-dimethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione chemical structure, C22H25N5O4S, CAS 893913-25-2
7-(2-Methoxyphenyl)-1,3-dimethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS 893913-25-2C22H25N5O4S
7-(2-Fluorophenyl)-1,3-dimethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione chemical structure, C21H22FN5O3S, CAS 893912-99-7
7-(2-Fluorophenyl)-1,3-dimethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS 893912-99-7C21H22FN5O3S
1,3-Dimethyl-7-(4-methylphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione chemical structure, C22H25N5O3S, CAS 893909-83-6
1,3-Dimethyl-7-(4-methylphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS 893909-83-6C22H25N5O3S
1,3-Dimethyl-7-(2-methylphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione chemical structure, C22H25N5O3S, CAS 893920-92-8
1,3-Dimethyl-7-(2-methylphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS 893920-92-8C22H25N5O3S
7-(2-Chlorophenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H22ClN5O3S, CAS 893906-19-9
7-(2-Chlorophenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893906-19-9C21H22ClN5O3S
7-(2-Methoxyphenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C23H27N5O4S, CAS 893913-31-0
7-(2-Methoxyphenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893913-31-0C23H27N5O4S
7-(3,4-Dimethoxyphenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C23H27N5O5S, CAS 893908-26-4
7-(3,4-Dimethoxyphenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893908-26-4C23H27N5O5S
7-(2-Fluorophenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C22H24FN5O3S, CAS 893913-06-9
7-(2-Fluorophenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893913-06-9C22H24FN5O3S
7-(3-Fluorophenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H22FN5O3S, CAS 893919-03-4
7-(3-Fluorophenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893919-03-4C21H22FN5O3S
1,3-Dimethyl-7-(3-nitrophenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H22N6O5S, CAS 893926-37-9
1,3-Dimethyl-7-(3-nitrophenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893926-37-9C21H22N6O5S
1,3-Dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-7-(m-tolyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C22H25N5O3S, CAS 893906-01-9
1,3-Dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-7-(m-tolyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893906-01-9C22H25N5O3S
7-(3-Methoxyphenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C22H25N5O4S, CAS 893919-16-9
7-(3-Methoxyphenyl)-1,3-dimethyl-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893919-16-9C22H25N5O4S
7-(3-Methoxyphenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C23H27N5O4S, CAS 893919-30-7
7-(3-Methoxyphenyl)-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893919-30-7C23H27N5O4S
1,3-Dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C22H25N5O3S, CAS 906230-41-9
1,3-Dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 906230-41-9C22H25N5O3S