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Murcko scaffold

Ring system with 3 rings and 17 atoms

106 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
106
With full pages
13
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(N3CCNCC3)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(N3CCNCC3)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 106 chemicals

1H-Purine-2,6-dione, 3,7-dihydro-8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,3-dimethyl- chemical structure, C13H20N6O3, CAS 40171-75-3
1H-Purine-2,6-dione, 3,7-dihydro-8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,3-dimethyl-
CAS 40171-75-3C13H20N6O3
7-(3-Chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H25ClN6O4, CAS 87080-29-3
7-(3-Chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 87080-29-3C16H25ClN6O4
1,3,7-Trimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C13H20N6O2, CAS 96294-94-9
1,3,7-Trimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CAS 96294-94-9C13H20N6O2
2-[1,3-Dimethyl-8-(4-methyl-piperazin-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl]-acetamide chemical structure, C14H21N7O3, CAS 378206-26-9
2-[1,3-Dimethyl-8-(4-methyl-piperazin-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl]-acetamide
CAS 378206-26-9C14H21N7O3
2-[3-Methyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide chemical structure, C13H19N7O3, CAS 378217-46-0
2-[3-Methyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide
CAS 378217-46-0C13H19N7O3
3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione chemical structure, C13H18N6O2, CAS 313230-36-3
3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione
CAS 313230-36-3C13H18N6O2
8-(4-Ethylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H28N6O2, CAS 442864-84-8
8-(4-Ethylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442864-84-8C17H28N6O2
1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione chemical structure, C12H18N6O2, CAS 50693-74-8
1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
CAS 50693-74-8C12H18N6O2
7-Isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H24N6O2, CAS 313530-90-4
7-Isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313530-90-4C15H24N6O2
7-Ethyl-3-methyl-8-piperazin-1-ylpurine-2,6-dione chemical structure, C12H18N6O2, CAS 300391-56-4
7-Ethyl-3-methyl-8-piperazin-1-ylpurine-2,6-dione
CAS 300391-56-4C12H18N6O2
7-(2-Hydroxyethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C13H20N6O3, CAS 302903-95-3
7-(2-Hydroxyethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 302903-95-3C13H20N6O3
7-Isobutyl-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H24N6O2, CAS 313471-53-3
7-Isobutyl-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313471-53-3C15H24N6O2
3-Methyl-7-(3-methylbut-2-en-1-yl)-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H24N6O2, CAS 332103-64-7
3-Methyl-7-(3-methylbut-2-en-1-yl)-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 332103-64-7C16H24N6O2
3-Methyl-7-(2-methylallyl)-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H22N6O2, CAS 332098-98-3
3-Methyl-7-(2-methylallyl)-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 332098-98-3C15H22N6O2
3-Methyl-8-(4-methylpiperazin-1-yl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H22N6O2, CAS 302590-34-7
3-Methyl-8-(4-methylpiperazin-1-yl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
CAS 302590-34-7C14H22N6O2
3-Methyl-8-(4-methylpiperazin-1-yl)-7-propylpurine-2,6-dione chemical structure, C14H22N6O2, CAS 313471-50-0
3-Methyl-8-(4-methylpiperazin-1-yl)-7-propylpurine-2,6-dione
CAS 313471-50-0C14H22N6O2
3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C12H18N6O2, CAS 67162-66-7
3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CAS 67162-66-7C12H18N6O2
3-Methyl-7-(2-methylallyl)-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C14H20N6O2, CAS 332098-96-1
3-Methyl-7-(2-methylallyl)-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 332098-96-1C14H20N6O2
3-Methyl-8-piperazin-1-yl-7-propylpurine-2,6-dione chemical structure, C13H20N6O2, CAS 313554-09-5
3-Methyl-8-piperazin-1-yl-7-propylpurine-2,6-dione
CAS 313554-09-5C13H20N6O2
2-(1,3-Dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetamide chemical structure, C13H19N7O3, CAS 377063-97-3
2-(1,3-Dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetamide
CAS 377063-97-3C13H19N7O3
7-Ethyl-3-methyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione chemical structure, C15H22N6O3, CAS 331671-55-7
7-Ethyl-3-methyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione
CAS 331671-55-7C15H22N6O3
1,3-Dimethyl-8-piperazin-1-yl-7-propan-2-ylpurine-2,6-dione chemical structure, C14H22N6O2, CAS 331671-66-0
1,3-Dimethyl-8-piperazin-1-yl-7-propan-2-ylpurine-2,6-dione
CAS 331671-66-0C14H22N6O2
7-Isobutyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C14H22N6O2, CAS 313273-71-1
7-Isobutyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313273-71-1C14H22N6O2
3,7-Dimethyl-8-piperazin-1-ylpurine-2,6-dione chemical structure, C11H16N6O2, CAS 67162-64-5
3,7-Dimethyl-8-piperazin-1-ylpurine-2,6-dione
CAS 67162-64-5C11H16N6O2