CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 25 atoms

75 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
75
With full pages
7
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(CN3CCCCC3)n2Cc2ccccc2)[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(CN3CCCCC3)n2Cc2ccccc2)[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 75 chemicals

1-((7-(2,6-Dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide chemical structure, C21H24Cl2N6O3, CAS 868147-02-8
1-((7-(2,6-Dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide
CAS 868147-02-8C21H24Cl2N6O3
1-[[7-[(2-Chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide chemical structure, C21H24ClFN6O3, CAS 893970-01-9
1-[[7-[(2-Chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide
CAS 893970-01-9C21H24ClFN6O3
1-[[7-[(2-Fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide chemical structure, C21H25FN6O3, CAS 893970-33-7
1-[[7-[(2-Fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide
CAS 893970-33-7C21H25FN6O3
1-[[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide chemical structure, C21H25ClN6O3, CAS 893969-94-3
1-[[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide
CAS 893969-94-3C21H25ClN6O3
7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H25ClFN5O2, CAS 851938-50-6
7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851938-50-6C21H25ClFN5O2
7-(4-Chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H24ClN5O2, CAS 575461-86-8
7-(4-Chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 575461-86-8C20H24ClN5O2
7-(2-Chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H24ClN5O2, CAS 797028-25-2
7-(2-Chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 797028-25-2C20H24ClN5O2
7-Benzyl-1,3-dimethyl-8-piperidin-1-ylmethyl-3,7-dihydro-purine-2,6-dione chemical structure, C20H25N5O2, CAS 797028-26-3
7-Benzyl-1,3-dimethyl-8-piperidin-1-ylmethyl-3,7-dihydro-purine-2,6-dione
CAS 797028-26-3C20H25N5O2
1,3-Dimethyl-7-[(2-methylphenyl)methyl]-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione chemical structure, C22H29N5O2, CAS 838866-07-2
1,3-Dimethyl-7-[(2-methylphenyl)methyl]-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
CAS 838866-07-2C22H29N5O2
7-(2-Fluorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H24FN5O2, CAS 838866-38-9
7-(2-Fluorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 838866-38-9C20H24FN5O2
7-Benzyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H27N5O2, CAS 838866-74-3
7-Benzyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 838866-74-3C21H27N5O2
7-Benzyl-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H29N5O2, CAS 838883-65-1
7-Benzyl-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 838883-65-1C22H29N5O2
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H26ClN5O2, CAS 838883-91-3
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 838883-91-3C21H26ClN5O2
1,3-Dimethyl-7-(3-methylbenzyl)-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H29N5O2, CAS 838900-57-5
1,3-Dimethyl-7-(3-methylbenzyl)-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 838900-57-5C22H29N5O2
8-[(2-Ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione chemical structure, C23H31N5O2, CAS 851938-74-4
8-[(2-Ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CAS 851938-74-4C23H31N5O2
7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H25ClFN5O2, CAS 851938-48-2
7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851938-48-2C21H25ClFN5O2
1,3-Dimethyl-7-(4-methylbenzyl)-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H29N5O2, CAS 851939-18-9
1,3-Dimethyl-7-(4-methylbenzyl)-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851939-18-9C22H29N5O2
8-[(2-Ethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H28FN5O2, CAS 851937-91-2
8-[(2-Ethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 851937-91-2C22H28FN5O2
7-Benzyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H27N5O2, CAS 851937-73-0
7-Benzyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851937-73-0C21H27N5O2
7-(4-Fluorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H26FN5O2, CAS 851937-90-1
7-(4-Fluorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851937-90-1C21H26FN5O2
7-(4-Chlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H26ClN5O2, CAS 851938-32-4
7-(4-Chlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851938-32-4C21H26ClN5O2
8-[(3,5-Dimethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H28FN5O2, CAS 851937-93-4
8-[(3,5-Dimethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 851937-93-4C22H28FN5O2
7-(2-Chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H28ClN5O2, CAS 851938-89-1
7-(2-Chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 851938-89-1C22H28ClN5O2
7-(2-Chlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H26ClN5O2, CAS 851938-86-8
7-(2-Chlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851938-86-8C21H26ClN5O2