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Murcko scaffold

Ring system with 4 rings and 25 atoms

14 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 14
With full pages: 11

Scaffold SMILES

O=C(c1ccco1)N1CCN(Cc2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)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)c3[nH]2)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 14 of 14 chemicals

7-Ethyl-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C19H24N6O4, CAS 851937-45-6

7-Ethyl-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione

CAS 851937-45-6C₁₉H₂₄N₆O₄

8-{[4-(Furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione chemical structure, C17H20N6O4, CAS 676156-76-6

8-{[4-(Furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione

CAS 676156-76-6C₁₇H₂₀N₆O₄

8-[[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione chemical structure, C20H26N6O4, CAS 851937-56-9

8-[[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione

CAS 851937-56-9C₂₀H₂₆N₆O₄

8-((4-(Furan-2-carbonyl)piperazin-1-yl)methyl)-7-heptyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H34N6O4, CAS 851942-35-3

8-((4-(Furan-2-carbonyl)piperazin-1-yl)methyl)-7-heptyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 851942-35-3C₂₄H₃₄N₆O₄

Methyl 2-[8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate chemical structure, C20H24N6O6, CAS 851940-50-6

Methyl 2-[8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate

CAS 851940-50-6C₂₀H₂₄N₆O₆

7-Butyl-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O4, CAS 851937-71-8

7-Butyl-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 851937-71-8C₂₁H₂₈N₆O₄

8-((4-(Furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-pentyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H30N6O4, CAS 851941-09-8

8-((4-(Furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-pentyl-1H-purine-2,6(3H,7H)-dione

CAS 851941-09-8C₂₂H₃₀N₆O₄

2-[8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide chemical structure, C19H23N7O5, CAS 851940-92-6

2-[8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide

CAS 851940-92-6C₁₉H₂₃N₇O₅

8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione chemical structure, C20H24N6O5, CAS 893945-43-2

8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione

CAS 893945-43-2C₂₀H₂₄N₆O₅

8-{[4-(Furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H30N6O4, CAS 851941-94-1

8-{[4-(Furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

CAS 851941-94-1C₂₂H₃₀N₆O₄

8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione chemical structure, C21H26N6O5, CAS 872628-08-5

8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione

CAS 872628-08-5C₂₁H₂₆N₆O₅

8-((4-(Furan-2-carbonyl)piperazin-1-yl)methyl)-7-hexyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H32N6O4, CAS 851942-16-0

8-((4-(Furan-2-carbonyl)piperazin-1-yl)methyl)-7-hexyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 851942-16-0C₂₃H₃₂N₆O₄

8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione chemical structure, C20H26N6O4, CAS 904373-32-6

8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione

CAS 904373-32-6C₂₀H₂₆N₆O₄

7-(3,3-Dimethyl-2-oxobutyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H30N6O5, CAS 887197-31-1

7-(3,3-Dimethyl-2-oxobutyl)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 887197-31-1C₂₃H₃₀N₆O₅