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Murcko scaffold

Ring system with 4 rings and 20 atoms

65 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
65
With full pages
2
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc3[nH]c(-c4ccccc4)cn32)[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(nc3[nH]c(-c4ccccc4)cn32)[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 65 chemicals

1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,8-dimethyl-7-phenyl- chemical structure, C15H13N5O2, CAS 76286-84-5
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,8-dimethyl-7-phenyl-
CAS 76286-84-5C15H13N5O2
1,3,8-Trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C16H15N5O2, CAS 19970-42-4
1,3,8-Trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 19970-42-4C16H15N5O2
8-(2-Hydroxyethyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C18H19N5O4, CAS 370584-70-6
8-(2-Hydroxyethyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 370584-70-6C18H19N5O4
2,4-Dimethyl-7-phenyl-6-propylpurino[7,8-a]imidazole-1,3-dione chemical structure, C18H19N5O2, CAS 442644-64-6
2,4-Dimethyl-7-phenyl-6-propylpurino[7,8-a]imidazole-1,3-dione
CAS 442644-64-6C18H19N5O2
4-Methyl-7-phenyl-6-propylpurino[7,8-a]imidazole-1,3-dione chemical structure, C17H17N5O2, CAS 402952-01-6
4-Methyl-7-phenyl-6-propylpurino[7,8-a]imidazole-1,3-dione
CAS 402952-01-6C17H17N5O2
1,3-Dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C15H13N5O2, CAS 3767-50-8
1,3-Dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 3767-50-8C15H13N5O2
7-(4-Bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C17H16BrN5O3, CAS 370576-35-5
7-(4-Bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 370576-35-5C17H16BrN5O3
Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate chemical structure, C18H17N5O4, CAS 727662-95-5
Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate
CAS 727662-95-5C18H17N5O4
8-(2-Hydroxyethyl)-1,3,6-trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C18H19N5O3, CAS 727662-98-8
8-(2-Hydroxyethyl)-1,3,6-trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 727662-98-8C18H19N5O3
Isopropyl 4-(1,3-dimethyl-2,4-dioxo-7-phenyl-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)butanoate chemical structure, C22H25N5O4, CAS 727664-40-6
Isopropyl 4-(1,3-dimethyl-2,4-dioxo-7-phenyl-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)butanoate
CAS 727664-40-6C22H25N5O4
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1-methyl-7-phenyl- chemical structure, C14H11N5O2, CAS 85592-03-6
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1-methyl-7-phenyl-
CAS 85592-03-6C14H11N5O2
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl- chemical structure, C18H19N5O2, CAS 85592-05-8
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-
CAS 85592-05-8C18H19N5O2
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 3-(2,3-dihydroxypropyl)-1,8-dimethyl-7-phenyl- chemical structure, C18H19N5O4, CAS 85592-16-1
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 3-(2,3-dihydroxypropyl)-1,8-dimethyl-7-phenyl-
CAS 85592-16-1C18H19N5O4
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-3-(2-hydroxypropyl)-1-methyl-7-phenyl- chemical structure, C19H21N5O4, CAS 85592-18-3
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-3-(2-hydroxypropyl)-1-methyl-7-phenyl-
CAS 85592-18-3C19H21N5O4
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-7-phenyl- chemical structure, C16H15N5O3, CAS 85615-11-8
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-7-phenyl-
CAS 85615-11-8C16H15N5O3
8-Ethyl-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C17H17N5O2, CAS 31488-16-1
8-Ethyl-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 31488-16-1C17H17N5O2
8-(3-Hydroxypropyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C19H21N5O4, CAS 376383-02-7
8-(3-Hydroxypropyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 376383-02-7C19H21N5O4
6-(4-Hydroxybutyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C19H21N5O3, CAS 633281-76-2
6-(4-Hydroxybutyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 633281-76-2C19H21N5O3
Ethyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate chemical structure, C19H19N5O4, CAS 861138-25-2
Ethyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate
CAS 861138-25-2C19H19N5O4
8-Ethyl-6-(3-hydroxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C20H23N5O3, CAS 442673-23-6
8-Ethyl-6-(3-hydroxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 442673-23-6C20H23N5O3
8-Ethyl-6-(3-methoxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C21H25N5O3, CAS 442673-26-9
8-Ethyl-6-(3-methoxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 442673-26-9C21H25N5O3
7-(4-Chlorophenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C18H18ClN5O3, CAS 442668-99-7
7-(4-Chlorophenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 442668-99-7C18H18ClN5O3
8-Ethyl-6-(2-methoxyethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C20H23N5O3, CAS 862209-40-3
8-Ethyl-6-(2-methoxyethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 862209-40-3C20H23N5O3
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1,3-dimethyl-7-(4-methoxyphenyl)- chemical structure, C20H23N5O3, CAS 96885-65-3
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1,3-dimethyl-7-(4-methoxyphenyl)-
CAS 96885-65-3C20H23N5O3