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Murcko scaffold

Ring system with 4 rings and 24 atoms

44 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
44
With full pages
9
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCCCC3)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(N3CCCCC3)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 44 of 44 chemicals

7-Benzyl-1,3-dimethyl-8-(4-methyl-piperidin-1-yl)-3,7-dihydro-purine-2,6-dione chemical structure, C20H25N5O2, CAS 302785-87-1
7-Benzyl-1,3-dimethyl-8-(4-methyl-piperidin-1-yl)-3,7-dihydro-purine-2,6-dione
CAS 302785-87-1C20H25N5O2
7-Benzyl-1,3-dimethyl-8-(3-methyl-piperidin-1-yl)-3,7-dihydro-purine-2,6-dione chemical structure, C20H25N5O2, CAS 573697-62-8
7-Benzyl-1,3-dimethyl-8-(3-methyl-piperidin-1-yl)-3,7-dihydro-purine-2,6-dione
CAS 573697-62-8C20H25N5O2
7-Benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione chemical structure, C18H21N5O2, CAS 106306-87-0
7-Benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CAS 106306-87-0C18H21N5O2
7-Benzyl-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H23N5O2, CAS 359697-72-6
7-Benzyl-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
CAS 359697-72-6C19H23N5O2
7-(2-Chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H22ClN5O2, CAS 317842-06-1
7-(2-Chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 317842-06-1C19H22ClN5O2
7-(2-Chlorobenzyl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H20ClN5O2, CAS 305868-07-9
7-(2-Chlorobenzyl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
CAS 305868-07-9C18H20ClN5O2
1,3-Dimethyl-7-(3-methylbenzyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25N5O2, CAS 359901-55-6
1,3-Dimethyl-7-(3-methylbenzyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 359901-55-6C20H25N5O2
7-(4-Fluorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H22FN5O2, CAS 359904-11-3
7-(4-Fluorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 359904-11-3C19H22FN5O2
1-(3-Methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C20H24N6O3, CAS 442864-62-2
1-(3-Methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 442864-62-2C20H24N6O3
1-(7-(2-Chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C19H21ClN6O3, CAS 488122-39-0
1-(7-(2-Chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 488122-39-0C19H21ClN6O3
1-(1,3-Dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C21H26N6O3, CAS 488726-95-0
1-(1,3-Dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 488726-95-0C21H26N6O3
1-(7-(2-Chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C20H23ClN6O3, CAS 442864-71-3
1-(7-(2-Chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 442864-71-3C20H23ClN6O3
1-(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C19H22N6O3, CAS 442864-75-7
1-(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 442864-75-7C19H22N6O3
1-(7-Benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide chemical structure, C20H24N6O3, CAS 488138-24-5
1-(7-Benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
CAS 488138-24-5C20H24N6O3
7-[(4-Fluorophenyl)methyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione chemical structure, C18H20FN5O2, CAS 505080-83-1
7-[(4-Fluorophenyl)methyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CAS 505080-83-1C18H20FN5O2
1,3-Dimethyl-8-(4-methylpiperidin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione chemical structure, C20H24N6O4, CAS 667881-12-1
1,3-Dimethyl-8-(4-methylpiperidin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione
CAS 667881-12-1C20H24N6O4
7-Benzyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H23N5O2, CAS 575463-32-0
7-Benzyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 575463-32-0C19H23N5O2
3-Methyl-7-[(3-methylphenyl)methyl]-8-(4-methylpiperidin-1-yl)purine-2,6-dione chemical structure, C20H25N5O2, CAS 672935-44-3
3-Methyl-7-[(3-methylphenyl)methyl]-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CAS 672935-44-3C20H25N5O2
7-(3-Bromobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H22BrN5O2, CAS 324539-13-1
7-(3-Bromobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 324539-13-1C19H22BrN5O2
7-[(4-Chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione chemical structure, C20H24ClN5O2, CAS 335417-36-2
7-[(4-Chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CAS 335417-36-2C20H24ClN5O2
3-Methyl-7-(4-methylbenzyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H23N5O2, CAS 303970-13-0
3-Methyl-7-(4-methylbenzyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 303970-13-0C19H23N5O2
7-(2-Fluorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H22FN5O2, CAS 332116-01-5
7-(2-Fluorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
CAS 332116-01-5C19H22FN5O2
1,3-Dimethyl-7-(4-ME-benzyl)-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H25N5O2, CAS 332904-78-6
1,3-Dimethyl-7-(4-ME-benzyl)-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 332904-78-6C20H25N5O2
7-(4-Chlorobenzyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H20ClN5O2, CAS 331839-85-1
7-(4-Chlorobenzyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 331839-85-1C18H20ClN5O2