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Murcko scaffold

Ring system with 5 rings and 32 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
12
With full pages
5
Scaffold SMILES

O=C(c1ccco1)N1CCN(Cc2nc3[nH]c(=O)[nH]c(=O)c3n2Cc2ccccc2)CC1

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(c1ccco1)N1CCN(Cc2nc3[nH]c(=O)[nH]c(=O)c3n2Cc2ccccc2)CC1

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 12 of 12 chemicals

7-[(4-Fluorophenyl)methyl]-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C24H25FN6O4, CAS 851938-04-0
7-[(4-Fluorophenyl)methyl]-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CAS 851938-04-0C24H25FN6O4
7-Benzyl-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C24H26N6O4, CAS 838898-50-3
7-Benzyl-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CAS 838898-50-3C24H26N6O4
7-(3-Chlorobenzyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H25ClN6O4, CAS 851940-13-1
7-(3-Chlorobenzyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 851940-13-1C24H25ClN6O4
7-[(4-Chlorophenyl)methyl]-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C24H25ClN6O4, CAS 851938-44-8
7-[(4-Chlorophenyl)methyl]-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CAS 851938-44-8C24H25ClN6O4
8-{[4-(Furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C25H28N6O4, CAS 851939-32-7
8-{[4-(Furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 851939-32-7C25H28N6O4
7-[(2-Chlorophenyl)methyl]-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C24H25ClN6O4, CAS 851938-99-3
7-[(2-Chlorophenyl)methyl]-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CAS 851938-99-3C24H25ClN6O4
7-[(2,5-Dimethylphenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C26H30N6O4, CAS 851939-13-4
7-[(2,5-Dimethylphenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 851939-13-4C26H30N6O4
8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione chemical structure, C25H28N6O4, CAS 851938-28-8
8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CAS 851938-28-8C25H28N6O4
7-(2-Fluorobenzyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H25FN6O4, CAS 851939-51-0
7-(2-Fluorobenzyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 851939-51-0C24H25FN6O4
8-{[4-(Furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C25H28N6O4, CAS 851938-84-6
8-{[4-(Furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 851938-84-6C25H28N6O4
7-(2,4-Dichlorobenzyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H24Cl2N6O4, CAS 851940-38-0
7-(2,4-Dichlorobenzyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 851940-38-0C24H24Cl2N6O4
7-(2,6-Dichlorobenzyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H24Cl2N6O4, CAS 868146-72-9
7-(2,6-Dichlorobenzyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 868146-72-9C24H24Cl2N6O4