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Murcko scaffold

Ring system with 5 rings and 28 atoms

17 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
17
With full pages
6
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCNCC3)n2Cc2cccc3ccccc23)[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)c2c(nc(N3CCNCC3)n2Cc2cccc3ccccc23)[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 17 of 17 chemicals

1,3-DI-ME-7-(1-Naphthylmethyl)-8-(1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H24N6O2, CAS 389060-08-6
1,3-DI-ME-7-(1-Naphthylmethyl)-8-(1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 389060-08-6C22H24N6O2
3-ME-8-(4-ME-1-Piperazinyl)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H24N6O2, CAS 476479-98-8
3-ME-8-(4-ME-1-Piperazinyl)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476479-98-8C22H24N6O2
1,3-DI-ME-8(4-ME-1-Piperazinyl)7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H26N6O2, CAS 309938-17-8
1,3-DI-ME-8(4-ME-1-Piperazinyl)7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione
CAS 309938-17-8C23H26N6O2
8-[4-(2-Hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C24H28N6O3, CAS 476479-96-6
8-[4-(2-Hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476479-96-6C24H28N6O3
8-(4-(2-Hydroxyethyl)-1-piperazinyl)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H26N6O3, CAS 476480-06-5
8-(4-(2-Hydroxyethyl)-1-piperazinyl)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-06-5C23H26N6O3
8-(4-Ethylpiperazin-1-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione chemical structure, C24H28N6O2, CAS 309938-18-9
8-(4-Ethylpiperazin-1-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CAS 309938-18-9C24H28N6O2
2-(4-(3-Methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetamide chemical structure, C23H25N7O3, CAS 895846-85-2
2-(4-(3-Methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetamide
CAS 895846-85-2C23H25N7O3
8-(4-Isobutylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C25H30N6O2, CAS 895847-51-5
8-(4-Isobutylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
CAS 895847-51-5C25H30N6O2
3-Methyl-8-(4-(2-methylallyl)piperazin-1-yl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C25H28N6O2, CAS 878432-28-1
3-Methyl-8-(4-(2-methylallyl)piperazin-1-yl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
CAS 878432-28-1C25H28N6O2
8-(4-Ethylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione chemical structure, C23H26N6O2, CAS 887030-42-4
8-(4-Ethylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CAS 887030-42-4C23H26N6O2
3-Methyl-7-(naphthalen-1-ylmethyl)-8-(4-propylpiperazin-1-yl)purine-2,6-dione chemical structure, C24H28N6O2, CAS 887030-43-5
3-Methyl-7-(naphthalen-1-ylmethyl)-8-(4-propylpiperazin-1-yl)purine-2,6-dione
CAS 887030-43-5C24H28N6O2
3-Methyl-7-(naphthalen-1-ylmethyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione chemical structure, C24H26N6O2, CAS 887030-44-6
3-Methyl-7-(naphthalen-1-ylmethyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione
CAS 887030-44-6C24H26N6O2
3-Methyl-7-(naphthalen-1-ylmethyl)-8-(4-pentylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C26H32N6O2, CAS 898428-30-3
3-Methyl-7-(naphthalen-1-ylmethyl)-8-(4-pentylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 898428-30-3C26H32N6O2
Ethyl 2-(4-(3-methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate chemical structure, C25H28N6O4, CAS 898428-33-6
Ethyl 2-(4-(3-methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate
CAS 898428-33-6C25H28N6O4
Methyl 2-(4-(3-methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate chemical structure, C24H26N6O4, CAS 898420-04-7
Methyl 2-(4-(3-methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate
CAS 898420-04-7C24H26N6O4
8-(4-Isopentylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C26H32N6O2, CAS 898428-31-4
8-(4-Isopentylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
CAS 898428-31-4C26H32N6O2
3-Methyl-7-[(naphthalen-1-yl)methyl]-8-(4-propanoylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C24H26N6O3, CAS 1363942-31-7
3-Methyl-7-[(naphthalen-1-yl)methyl]-8-(4-propanoylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1363942-31-7C24H26N6O3