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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 49 to 96 of 416 chemicals

7-(3,4-Dimethoxyphenyl)-6-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O5, CAS 578747-90-7
7-(3,4-Dimethoxyphenyl)-6-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 578747-90-7C24H23N5O5
6-(3,4-Dimethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H21N5O2, CAS 401595-95-7
6-(3,4-Dimethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 401595-95-7C23H21N5O2
4-Methyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C21H17N5O2, CAS 85592-10-5
4-Methyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 85592-10-5C21H17N5O2
8-(3-Methoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H19N5O3, CAS 845626-83-7
8-(3-Methoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 845626-83-7C22H19N5O3
6-(4-Chlorophenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione chemical structure, C22H18ClN5O2, CAS 847034-36-0
6-(4-Chlorophenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CAS 847034-36-0C22H18ClN5O2
1,3-Dimethyl-7-(3-nitrophenyl)-8-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H18N6O4, CAS 397275-46-6
1,3-Dimethyl-7-(3-nitrophenyl)-8-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 397275-46-6C22H18N6O4
7,8-Bis(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C21H15F2N5O2, CAS 843669-16-9
7,8-Bis(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 843669-16-9C21H15F2N5O2
7-(4-Chlorophenyl)-1,3-dimethyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H18ClN5O2, CAS 847378-44-3
7-(4-Chlorophenyl)-1,3-dimethyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 847378-44-3C22H18ClN5O2
2,4-Dimethyl-6-(3-methylphenyl)-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione chemical structure, C23H21N5O2, CAS 326021-63-0
2,4-Dimethyl-6-(3-methylphenyl)-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CAS 326021-63-0C23H21N5O2
6-(4-Butylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C25H25N5O2, CAS 401596-18-7
6-(4-Butylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 401596-18-7C25H25N5O2
6-(4-Chlorophenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C21H16ClN5O2, CAS 846583-23-1
6-(4-Chlorophenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 846583-23-1C21H16ClN5O2
6-(3-Chlorophenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C22H18ClN5O3, CAS 847376-48-1
6-(3-Chlorophenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 847376-48-1C22H18ClN5O3
2,4,8-Trimethyl-7-phenyl-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione chemical structure, C23H18F3N5O2, CAS 850745-94-7
2,4,8-Trimethyl-7-phenyl-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
CAS 850745-94-7C23H18F3N5O2
6-(3,4-Dimethylphenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C25H25N5O2, CAS 877778-10-4
6-(3,4-Dimethylphenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 877778-10-4C25H25N5O2
6-(3-Chloro-4-methoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C22H18ClN5O3, CAS 877783-38-5
6-(3-Chloro-4-methoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 877783-38-5C22H18ClN5O3
8-(4-Ethoxyphenyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C23H20FN5O3, CAS 845627-99-8
8-(4-Ethoxyphenyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 845627-99-8C23H20FN5O3
1,3-Dimethyl-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H19N5O2, CAS 377062-29-8
1,3-Dimethyl-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 377062-29-8C22H19N5O2
2,4,8-Trimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C22H19N5O2, CAS 728035-76-5
2,4,8-Trimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
CAS 728035-76-5C22H19N5O2
8-(2-Fluorophenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C21H16FN5O2, CAS 842971-78-2
8-(2-Fluorophenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 842971-78-2C21H16FN5O2
6-(4-Butylphenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C27H29N5O2, CAS 728016-11-3
6-(4-Butylphenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 728016-11-3C27H29N5O2
6-(3,5-Dimethylphenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C25H25N5O2, CAS 728016-13-5
6-(3,5-Dimethylphenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 728016-13-5C25H25N5O2
6-(2,3-Dimethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H21N5O2, CAS 865098-85-7
6-(2,3-Dimethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 865098-85-7C23H21N5O2
8-(4-Ethoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C23H21N5O3, CAS 31493-81-9
8-(4-Ethoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 31493-81-9C23H21N5O3
8-(4-Bromophenyl)-1,3-dimethyl-7-(3-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C21H15BrN6O4, CAS 397275-58-0
8-(4-Bromophenyl)-1,3-dimethyl-7-(3-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 397275-58-0C21H15BrN6O4