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Murcko scaffold

Ring system with 3 rings and 18 atoms

50 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
50
With full pages
12
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(CN3CCNCC3)nc2[nH]1

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=c1[nH]c(=O)c2[nH]c(CN3CCNCC3)nc2[nH]1

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 50 chemicals

8-[(4-Ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione chemical structure, C18H28N6O3, CAS 573948-87-5
8-[(4-Ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
CAS 573948-87-5C18H28N6O3
Ethyl 4-[(7-hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate chemical structure, C21H34N6O4, CAS 851942-10-4
Ethyl 4-[(7-hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
CAS 851942-10-4C21H34N6O4
Ethyl 4-[(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate chemical structure, C19H30N6O4, CAS 838888-09-8
Ethyl 4-[(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate
CAS 838888-09-8C19H30N6O4
3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione chemical structure, C12H18N6O2, CAS 847239-76-3
3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
CAS 847239-76-3C12H18N6O2
1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione chemical structure, C13H20N6O2, CAS 71527-03-2
1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
CAS 71527-03-2C13H20N6O2
8-((4-(2-Hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H22N6O3, CAS 65919-57-5
8-((4-(2-Hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 65919-57-5C14H22N6O3
8-((4-Ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C14H22N6O2, CAS 585562-22-7
8-((4-Ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 585562-22-7C14H22N6O2
1,3-Dimethyl-8-((4-methylpiperazin-1-yl)methyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H24N6O3, CAS 579441-69-3
1,3-Dimethyl-8-((4-methylpiperazin-1-yl)methyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione
CAS 579441-69-3C16H24N6O3
Ethyl 4-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]piperazine-1-carboxylate chemical structure, C14H20N6O4, CAS 868143-70-8
Ethyl 4-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]piperazine-1-carboxylate
CAS 868143-70-8C14H20N6O4
7-Butyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione chemical structure, C17H28N6O2, CAS 851937-63-8
7-Butyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
CAS 851937-63-8C17H28N6O2
Ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate chemical structure, C18H28N6O4, CAS 838885-82-8
Ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
CAS 838885-82-8C18H28N6O4
7-(2-Methoxyethyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H26N6O3, CAS 797028-11-6
7-(2-Methoxyethyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 797028-11-6C16H26N6O3
8-[(4-Ethylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H28N6O3, CAS 838898-77-4
8-[(4-Ethylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 838898-77-4C17H28N6O3
Ethyl 4-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate chemical structure, C17H26N6O4, CAS 838904-77-1
Ethyl 4-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
CAS 838904-77-1C17H26N6O4
1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione chemical structure, C17H26N6O3, CAS 674307-15-4
1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione
CAS 674307-15-4C17H26N6O3
Ethyl 4-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate chemical structure, C18H28N6O4, CAS 862979-33-7
Ethyl 4-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
CAS 862979-33-7C18H28N6O4
Ethyl 4-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate chemical structure, C19H30N6O4, CAS 862979-35-9
Ethyl 4-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
CAS 862979-35-9C19H30N6O4
2-{8-[(4-Ethylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide chemical structure, C16H25N7O3, CAS 851940-83-5
2-{8-[(4-Ethylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
CAS 851940-83-5C16H25N7O3
8-[[4-(2-Hydroxyethyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione chemical structure, C17H28N6O4, CAS 851941-48-5
8-[[4-(2-Hydroxyethyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CAS 851941-48-5C17H28N6O4
8-[(4-Ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione chemical structure, C19H32N6O2, CAS 851941-84-9
8-[(4-Ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CAS 851941-84-9C19H32N6O2
1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-octylpurine-2,6-dione chemical structure, C21H36N6O2, CAS 674359-80-9
1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-octylpurine-2,6-dione
CAS 674359-80-9C21H36N6O2
Ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate chemical structure, C20H32N6O4, CAS 851941-87-2
Ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
CAS 851941-87-2C20H32N6O4
1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H30N6O2, CAS 843636-50-0
1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
CAS 843636-50-0C18H30N6O2
2-[1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2,6-dioxopurin-7-yl]acetamide chemical structure, C15H23N7O3, CAS 587010-48-8
2-[1,3-Dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2,6-dioxopurin-7-yl]acetamide
CAS 587010-48-8C15H23N7O3