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Murcko scaffold

Ring system with 3 rings and 17 atoms

124 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
124
With full pages
19
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(N3CCCCC3)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(N3CCCCC3)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 124 chemicals

1,3-Dimethyl-8-piperidin-1-yl-7H-purine-2,6-dione chemical structure, C12H17N5O2, CAS 961-48-8
1,3-Dimethyl-8-piperidin-1-yl-7H-purine-2,6-dione
CAS 961-48-8C12H17N5O2
RefChem:357098 chemical structure, C13H19N5O2, CAS 5436-39-5
RefChem:357098
CAS 5436-39-5C13H19N5O2
3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione chemical structure, C14H21N5O2, CAS 7702-24-1
3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CAS 7702-24-1C14H21N5O2
1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione chemical structure, C15H21N5O2, CAS 7499-91-4
1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione
CAS 7499-91-4C15H21N5O2
3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione chemical structure, C16H25N5O2, CAS 7504-45-2
3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CAS 7504-45-2C16H25N5O2
2-[3-Methyl-7-(3-methylbutyl)-2,6-dioxo-8-piperidin-1-ylpurin-1-yl]acetamide chemical structure, C18H28N6O3, CAS 313470-19-8
2-[3-Methyl-7-(3-methylbutyl)-2,6-dioxo-8-piperidin-1-ylpurin-1-yl]acetamide
CAS 313470-19-8C18H28N6O3
1-(3-Methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C17H26N6O3, CAS 442864-76-8
1-(3-Methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 442864-76-8C17H26N6O3
1-(7-Hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C18H28N6O3, CAS 496774-20-0
1-(7-Hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 496774-20-0C18H28N6O3
1-(7-Isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C17H26N6O3, CAS 442864-63-3
1-(7-Isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 442864-63-3C17H26N6O3
1-(7-Hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-piperidine-4-carboxylic acid amide chemical structure, C19H30N6O3, CAS 497246-68-1
1-(7-Hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-piperidine-4-carboxylic acid amide
CAS 497246-68-1C19H30N6O3
Ethyl 2-(3,7-dimethyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate chemical structure, C16H23N5O4, CAS 313470-59-6
Ethyl 2-(3,7-dimethyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate
CAS 313470-59-6C16H23N5O4
3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione chemical structure, C12H17N5O2, CAS 30958-53-3
3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione
CAS 30958-53-3C12H17N5O2
7-Hexyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione chemical structure, C18H29N5O2, CAS 672331-95-2
7-Hexyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CAS 672331-95-2C18H29N5O2
7-(2-Hydroxy-ethyl)-3-methyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione chemical structure, C13H19N5O3, CAS 115294-82-1
7-(2-Hydroxy-ethyl)-3-methyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione
CAS 115294-82-1C13H19N5O3
3-Methyl-8-piperidin-1-yl-7-prop-2-enylpurine-2,6-dione chemical structure, C14H19N5O2, CAS 300700-48-5
3-Methyl-8-piperidin-1-yl-7-prop-2-enylpurine-2,6-dione
CAS 300700-48-5C14H19N5O2
3,7-Dimethyl-8-piperidin-1-yl-1-prop-2-enylpurine-2,6-dione chemical structure, C15H21N5O2, CAS 5757-37-9
3,7-Dimethyl-8-piperidin-1-yl-1-prop-2-enylpurine-2,6-dione
CAS 5757-37-9C15H21N5O2
1-(7-Allyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C15H20N6O3, CAS 442864-70-2
1-(7-Allyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 442864-70-2C15H20N6O3
1-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C16H24N6O3, CAS 442864-72-4
1-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 442864-72-4C16H24N6O3
1-(3-Methyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C16H22N6O3, CAS 442864-73-5
1-(3-Methyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 442864-73-5C16H22N6O3
1-(7-Allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C16H22N6O3, CAS 489415-43-2
1-(7-Allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 489415-43-2C16H22N6O3
1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-3-methyl-8-(1-piperidinyl)- chemical structure, C13H19N5O2, CAS 114145-18-5
1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-3-methyl-8-(1-piperidinyl)-
CAS 114145-18-5C13H19N5O2
7-Isobutyl-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H23N5O2, CAS 313230-38-5
7-Isobutyl-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313230-38-5C15H23N5O2
3-Methyl-7-(2-methylprop-2-en-1-yl)-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C15H21N5O2, CAS 313273-98-2
3-Methyl-7-(2-methylprop-2-en-1-yl)-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 313273-98-2C15H21N5O2
3-(3-Methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3-dihydro-1H-purin-7(6H)-yl)propanoic acid chemical structure, C14H19N5O4, CAS 96902-23-7
3-(3-Methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3-dihydro-1H-purin-7(6H)-yl)propanoic acid
CAS 96902-23-7C14H19N5O4