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Murcko scaffold

Ring system with 3 rings and 16 atoms

30 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
30
With full pages
20
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(N3CCCC3)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(N3CCCC3)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 30 of 30 chemicals

1,3,7-Trimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione chemical structure, C12H17N5O2, CAS 6974-79-4
1,3,7-Trimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione
CAS 6974-79-4C12H17N5O2
3-Methyl-7-prop-2-enyl-8-pyrrolidin-1-ylpurine-2,6-dione chemical structure, C13H17N5O2, CAS 377065-55-9
3-Methyl-7-prop-2-enyl-8-pyrrolidin-1-ylpurine-2,6-dione
CAS 377065-55-9C13H17N5O2
7-Isopentyl-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H23N5O2, CAS 361174-81-4
7-Isopentyl-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 361174-81-4C15H23N5O2
1,3-Dimethyl-7-(2-methylprop-2-enyl)-8-pyrrolidin-1-ylpurine-2,6-dione chemical structure, C15H21N5O2, CAS 376378-00-6
1,3-Dimethyl-7-(2-methylprop-2-enyl)-8-pyrrolidin-1-ylpurine-2,6-dione
CAS 376378-00-6C15H21N5O2
1,3-Dimethyl-7-prop-2-enyl-8-pyrrolidin-1-ylpurine-2,6-dione chemical structure, C14H19N5O2, CAS 378207-76-2
1,3-Dimethyl-7-prop-2-enyl-8-pyrrolidin-1-ylpurine-2,6-dione
CAS 378207-76-2C14H19N5O2
7-Isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H25N5O2, CAS 376381-98-5
7-Isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 376381-98-5C16H25N5O2
7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C12H17N5O3, CAS 476481-40-0
7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-40-0C12H17N5O3
7-(3-CL-2-Butenyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H18ClN5O2, CAS 478252-99-2
7-(3-CL-2-Butenyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 478252-99-2C14H18ClN5O2
7-(2-Methoxyethyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C14H21N5O3, CAS 376385-02-3
7-(2-Methoxyethyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 376385-02-3C14H21N5O3
7-(2-Methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione chemical structure, C13H19N5O3, CAS 361174-96-1
7-(2-Methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CAS 361174-96-1C13H19N5O3
7-(2,3-Dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C13H19N5O4, CAS 333752-13-9
7-(2,3-Dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 333752-13-9C13H19N5O4
1,3-Dimethyl-7-pentyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione chemical structure, C16H25N5O2, CAS 376625-47-7
1,3-Dimethyl-7-pentyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione
CAS 376625-47-7C16H25N5O2
7-Hexyl-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione chemical structure, C17H27N5O2, CAS 377055-19-1
7-Hexyl-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
CAS 377055-19-1C17H27N5O2
7-(2-Ethoxyethyl)-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione chemical structure, C14H21N5O3, CAS 488734-96-9
7-(2-Ethoxyethyl)-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione
CAS 488734-96-9C14H21N5O3
7-(2-Ethoxy-ethyl)-1,3-dimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione chemical structure, C15H23N5O3, CAS 797775-45-2
7-(2-Ethoxy-ethyl)-1,3-dimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione
CAS 797775-45-2C15H23N5O3
7-(2-Hydroxy-3-isopropoxypropyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H27N5O4, CAS 876891-61-1
7-(2-Hydroxy-3-isopropoxypropyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 876891-61-1C17H27N5O4
7-(2-Hydroxy-3-prop-2-enoxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione chemical structure, C17H25N5O4, CAS 876891-71-3
7-(2-Hydroxy-3-prop-2-enoxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
CAS 876891-71-3C17H25N5O4
3-Methyl-7-octyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H29N5O2, CAS 378205-62-0
3-Methyl-7-octyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 378205-62-0C18H29N5O2
7-Decyl-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H33N5O2, CAS 476481-26-2
7-Decyl-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-26-2C20H33N5O2
3-Methyl-7-pentyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H23N5O2, CAS 361174-77-8
3-Methyl-7-pentyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 361174-77-8C15H23N5O2
7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H20ClN5O2, CAS 478252-87-8
7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 478252-87-8C15H20ClN5O2
7-(3-(Allyloxy)-2-hydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H23N5O4, CAS 876892-19-2
7-(3-(Allyloxy)-2-hydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 876892-19-2C16H23N5O4
7-(2-Hydroxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione chemical structure, C14H21N5O3, CAS 23663-16-3
7-(2-Hydroxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
CAS 23663-16-3C14H21N5O3
Methyl 2-(1,3-dimethyl-2,6-dioxo-8-pyrrolidin-1-ylpurin-7-yl)acetate chemical structure, C14H19N5O4, CAS 879070-85-6
Methyl 2-(1,3-dimethyl-2,6-dioxo-8-pyrrolidin-1-ylpurin-7-yl)acetate
CAS 879070-85-6C14H19N5O4