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Murcko scaffold

Ring system with 3 rings and 18 atoms

104 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
104
With full pages
23
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(CN3CCCCC3)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(CN3CCCCC3)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 104 chemicals

1,3-Dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C13H19N5O2, CAS 5436-40-8
1,3-Dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 5436-40-8C13H19N5O2
8-[(3,5-Dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione chemical structure, C18H27N5O3, CAS 893971-84-1
8-[(3,5-Dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione
CAS 893971-84-1C18H27N5O3
2-[1,3-Dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,6-dioxopurin-7-yl]acetamide chemical structure, C16H24N6O3, CAS 851940-77-7
2-[1,3-Dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,6-dioxopurin-7-yl]acetamide
CAS 851940-77-7C16H24N6O3
1,3-Dimethyl-8-(piperidin-1-ylmethyl)-7-propyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H25N5O2, CAS 585552-79-0
1,3-Dimethyl-8-(piperidin-1-ylmethyl)-7-propyl-1H-purine-2,6(3H,7H)-dione
CAS 585552-79-0C16H25N5O2
1,3-Dimethyl-8-[(4-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione chemical structure, C14H21N5O2, CAS 797028-21-8
1,3-Dimethyl-8-[(4-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione
CAS 797028-21-8C14H21N5O2
1,3-Dimethyl-7-(3-methylbutyl)-8-(piperidin-1-ylmethyl)purine-2,6-dione chemical structure, C18H29N5O2, CAS 838873-99-7
1,3-Dimethyl-7-(3-methylbutyl)-8-(piperidin-1-ylmethyl)purine-2,6-dione
CAS 838873-99-7C18H29N5O2
7-Ethyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C16H25N5O2, CAS 838875-77-7
7-Ethyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 838875-77-7C16H25N5O2
7-(3-Hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H25N5O3, CAS 578697-67-3
7-(3-Hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 578697-67-3C16H25N5O3
8-[(2-Ethylpiperidin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione chemical structure, C18H29N5O3, CAS 838883-81-1
8-[(2-Ethylpiperidin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
CAS 838883-81-1C18H29N5O3
7-Ethyl-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C17H27N5O2, CAS 851937-40-1
7-Ethyl-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 851937-40-1C17H27N5O2
7-Ethyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione chemical structure, C15H23N5O2, CAS 876709-55-6
7-Ethyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione
CAS 876709-55-6C15H23N5O2
7-Butyl-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C19H31N5O2, CAS 838889-11-5
7-Butyl-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 838889-11-5C19H31N5O2
Ethyl {1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate chemical structure, C18H27N5O4, CAS 838890-85-0
Ethyl {1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
CAS 838890-85-0C18H27N5O4
1,3-Dimethyl-7-(3-oxobutan-2-yl)-8-(piperidin-1-ylmethyl)purine-2,6-dione chemical structure, C17H25N5O3, CAS 577789-28-7
1,3-Dimethyl-7-(3-oxobutan-2-yl)-8-(piperidin-1-ylmethyl)purine-2,6-dione
CAS 577789-28-7C17H25N5O3
1,3-Dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxopropyl)purine-2,6-dione chemical structure, C17H25N5O3, CAS 838902-14-0
1,3-Dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxopropyl)purine-2,6-dione
CAS 838902-14-0C17H25N5O3
Methyl {1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate chemical structure, C17H25N5O4, CAS 838904-03-3
Methyl {1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
CAS 838904-03-3C17H25N5O4
Ethyl {1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate chemical structure, C18H27N5O4, CAS 838905-08-1
Ethyl {1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
CAS 838905-08-1C18H27N5O4
1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione chemical structure, C14H21N5O2, CAS 71798-30-6
1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione
CAS 71798-30-6C14H21N5O2
7-(2-Methoxyethyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H25N5O3, CAS 797028-16-1
7-(2-Methoxyethyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 797028-16-1C16H25N5O3
1,3-Dimethyl-8-[(3-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione chemical structure, C14H21N5O2, CAS 797028-23-0
1,3-Dimethyl-8-[(3-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione
CAS 797028-23-0C14H21N5O2
1,3-Dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione chemical structure, C18H27N5O3, CAS 578750-37-5
1,3-Dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione
CAS 578750-37-5C18H27N5O3
7-(3,3-Dimethyl-2-oxobutyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione chemical structure, C20H31N5O3, CAS 878420-85-0
7-(3,3-Dimethyl-2-oxobutyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione
CAS 878420-85-0C20H31N5O3
7-Hexyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione chemical structure, C19H31N5O2, CAS 851941-98-5
7-Hexyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione
CAS 851941-98-5C19H31N5O2
7-Hexyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione chemical structure, C20H33N5O2, CAS 851941-99-6
7-Hexyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
CAS 851941-99-6C20H33N5O2