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Murcko scaffold

Ring system with 5 rings and 26 atoms

416 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
26
Chemicals
416
With full pages
12
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)[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(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)[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 416 chemicals

1,3-Dimethyl-7,8-diphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C21H17N5O2, CAS 36184-12-0
1,3-Dimethyl-7,8-diphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 36184-12-0C21H17N5O2
7-(4-Bromophenyl)-2,4-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione chemical structure, C22H18BrN5O2, CAS 370574-49-5
7-(4-Bromophenyl)-2,4-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CAS 370574-49-5C22H18BrN5O2
7-(4-Bromophenyl)-2,4-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C21H16BrN5O2, CAS 36184-11-9
7-(4-Bromophenyl)-2,4-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 36184-11-9C21H16BrN5O2
7-(4-Fluorophenyl)-2,4-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C21H16FN5O2, CAS 326016-20-0
7-(4-Fluorophenyl)-2,4-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 326016-20-0C21H16FN5O2
1,3-Dimethyl-8-(4-methylphenyl)-7-PH-1H-imidazo(2,1-F)purine-2,4(3H,8H)-dione chemical structure, C22H19N5O2, CAS 31581-67-6
1,3-Dimethyl-8-(4-methylphenyl)-7-PH-1H-imidazo(2,1-F)purine-2,4(3H,8H)-dione
CAS 31581-67-6C22H19N5O2
8-(4-Methoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H19N5O3, CAS 31493-80-8
8-(4-Methoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 31493-80-8C22H19N5O3
7-(4-Chlorophenyl)-1,3-dimethyl-8-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H18ClN5O2, CAS 375362-26-8
7-(4-Chlorophenyl)-1,3-dimethyl-8-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 375362-26-8C22H18ClN5O2
7-(4-Chlorophenyl)-1,3-dimethyl-8-(3-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H18ClN5O2, CAS 375839-07-9
7-(4-Chlorophenyl)-1,3-dimethyl-8-(3-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 375839-07-9C22H18ClN5O2
8-(3,4-Dimethoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C23H21N5O4, CAS 378199-44-1
8-(3,4-Dimethoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 378199-44-1C23H21N5O4
6-(3,4-Dimethylphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O3, CAS 377066-22-3
6-(3,4-Dimethylphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 377066-22-3C24H23N5O3
7-(4-Bromophenyl)-6-(3,4-dimethoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H20BrN5O4, CAS 378204-63-8
7-(4-Bromophenyl)-6-(3,4-dimethoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 378204-63-8C23H20BrN5O4
7-(4-Bromophenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione chemical structure, C22H18BrN5O2, CAS 442630-26-4
7-(4-Bromophenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CAS 442630-26-4C22H18BrN5O2
7-(4-Methoxyphenyl)-2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione chemical structure, C23H18F3N5O3, CAS 442644-70-4
7-(4-Methoxyphenyl)-2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
CAS 442644-70-4C23H18F3N5O3
7-(4-Fluorophenyl)-8-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H18FN5O3, CAS 370573-78-7
7-(4-Fluorophenyl)-8-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 370573-78-7C22H18FN5O3
7-(4-Fluorophenyl)-1,3-dimethyl-8-(m-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H18FN5O2, CAS 370573-51-6
7-(4-Fluorophenyl)-1,3-dimethyl-8-(m-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 370573-51-6C22H18FN5O2
8-Ethyl-2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H21N5O2, CAS 442673-24-7
8-Ethyl-2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
CAS 442673-24-7C23H21N5O2
8-Ethyl-2,4-dimethyl-6-(3-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O2, CAS 442673-36-1
8-Ethyl-2,4-dimethyl-6-(3-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 442673-36-1C24H23N5O2
6-(3-Chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H20ClN5O2, CAS 500144-67-2
6-(3-Chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 500144-67-2C23H20ClN5O2
7-(4-Fluorophenyl)-1,3-dimethyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H18FN5O2, CAS 500195-92-6
7-(4-Fluorophenyl)-1,3-dimethyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 500195-92-6C22H18FN5O2
8-(3-Chlorophenyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C21H15ClFN5O2, CAS 497867-71-7
8-(3-Chlorophenyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 497867-71-7C21H15ClFN5O2
7-(4-Fluorophenyl)-2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione chemical structure, C22H15F4N5O2, CAS 487030-17-1
7-(4-Fluorophenyl)-2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
CAS 487030-17-1C22H15F4N5O2
7-(4-Chlorophenyl)-1,3-dimethyl-8-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C21H16ClN5O2, CAS 442669-00-3
7-(4-Chlorophenyl)-1,3-dimethyl-8-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 442669-00-3C21H16ClN5O2
6-(3-Chlorophenyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C21H15Cl2N5O2, CAS 442669-05-8
6-(3-Chlorophenyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 442669-05-8C21H15Cl2N5O2
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 7,8-diphenyl-1-methyl- chemical structure, C20H15N5O2, CAS 85592-04-7
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 7,8-diphenyl-1-methyl-
CAS 85592-04-7C20H15N5O2