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Murcko scaffold

Ring system with 3 rings and 20 atoms

24 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
24
With full pages
9
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(NCCc3ccccc3)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(NCCc3ccccc3)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 24 of 24 chemicals

Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- chemical structure, C17H21N5O3, CAS 106478-67-5
Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-
CAS 106478-67-5C17H21N5O3
1,3,7-Trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H19N5O2, CAS 7499-93-6
1,3,7-Trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
CAS 7499-93-6C16H19N5O2
7-Allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21N5O2, CAS 378208-99-2
7-Allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
CAS 378208-99-2C18H21N5O2
1,3-Dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H17N5O2, CAS 102212-40-8
1,3-Dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
CAS 102212-40-8C15H17N5O2
7-Isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N5O2, CAS 333752-02-6
7-Isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
CAS 333752-02-6C18H23N5O2
7-(2-Hydroxyethyl)-3-ME-8-((2-phenylethyl)amino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H19N5O3, CAS 476481-35-3
7-(2-Hydroxyethyl)-3-ME-8-((2-phenylethyl)amino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-35-3C16H19N5O3
3-Methyl-7-(3-methylbutyl)-8-[(2-phenylethyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C19H25N5O2, CAS 378205-98-2
3-Methyl-7-(3-methylbutyl)-8-[(2-phenylethyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 378205-98-2C19H25N5O2
7-Isopentyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H27N5O2, CAS 385424-64-6
7-Isopentyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
CAS 385424-64-6C20H27N5O2
Ethyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-7H-purine-7-acetate chemical structure, C19H23N5O4, CAS 325146-23-4
Ethyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-7H-purine-7-acetate
CAS 325146-23-4C19H23N5O4
Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- chemical structure, C20H27N5O6, CAS 78960-48-2
Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-
CAS 78960-48-2C20H27N5O6
3-Methyl-7-pentyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H25N5O2, CAS 378204-21-8
3-Methyl-7-pentyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
CAS 378204-21-8C19H25N5O2
7-(2-Hydroxy-3-isopropoxypropyl)-3-methyl-8-((2-phenylethyl)amino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H27N5O4, CAS 476481-12-6
7-(2-Hydroxy-3-isopropoxypropyl)-3-methyl-8-((2-phenylethyl)amino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-12-6C20H27N5O4
7-Butyl-3-methyl-8-((2-phenylethyl)amino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H23N5O2, CAS 476480-73-6
7-Butyl-3-methyl-8-((2-phenylethyl)amino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-73-6C18H23N5O2
3-Methyl-7-octyl-8-[(2-phenylethyl)amino]-1,3,7-trihydropurine-2,6-dione chemical structure, C22H31N5O2, CAS 376625-10-4
3-Methyl-7-octyl-8-[(2-phenylethyl)amino]-1,3,7-trihydropurine-2,6-dione
CAS 376625-10-4C22H31N5O2
7-Decyl-3-methyl-8-((2-phenylethyl)amino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C24H35N5O2, CAS 476481-34-2
7-Decyl-3-methyl-8-((2-phenylethyl)amino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-34-2C24H35N5O2
8-[2-(3,4-Dimethoxyphenyl)ethylamino]-3-methyl-7H-purine-2,6-dione chemical structure, C16H19N5O4, CAS 313380-52-8
8-[2-(3,4-Dimethoxyphenyl)ethylamino]-3-methyl-7H-purine-2,6-dione
CAS 313380-52-8C16H19N5O4
7-Ethyl-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H21N5O3, CAS 4574-43-0
7-Ethyl-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 4574-43-0C17H21N5O3
7-(3-CL-2-Butenyl)-1,3-DI-ME-8-((2-PH-ET)amino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H22ClN5O2, CAS 478252-96-9
7-(3-CL-2-Butenyl)-1,3-DI-ME-8-((2-PH-ET)amino)-3,7-dihydro-1H-purine-2,6-dione
CAS 478252-96-9C19H22ClN5O2
7-(3-(Allyloxy)-2-hydroxypropyl)-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25N5O4, CAS 887868-21-5
7-(3-(Allyloxy)-2-hydroxypropyl)-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
CAS 887868-21-5C20H25N5O4
2-(1,3-Dimethyl-2,6-dioxo-8-(phenethylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C17H19N5O4, CAS 325146-24-5
2-(1,3-Dimethyl-2,6-dioxo-8-(phenethylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 325146-24-5C17H19N5O4
2-(3-Methyl-2,6-dioxo-8-(phenethylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C16H17N5O4, CAS 946273-10-5
2-(3-Methyl-2,6-dioxo-8-(phenethylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 946273-10-5C16H17N5O4
1-Ethyl-3,7-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H21N5O2, CAS 1203241-83-1
1-Ethyl-3,7-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
CAS 1203241-83-1C17H21N5O2
3-(3,7-Dimethyl-2,6-dioxo-8-(phenethylamino)-2,3,6,7-tetrahydro-1H-purin-1-yl)propanamide chemical structure, C18H22N6O3, CAS 1421498-38-5
3-(3,7-Dimethyl-2,6-dioxo-8-(phenethylamino)-2,3,6,7-tetrahydro-1H-purin-1-yl)propanamide
CAS 1421498-38-5C18H22N6O3
Phentetramine chemical structure, C17H21N5O4, CAS 40914-99-6
Phentetramine
CAS 40914-99-6C17H21N5O4