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Murcko scaffold

Ring system with 4 rings and 24 atoms

207 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
207
With full pages
30
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCNCC3)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(N3CCNCC3)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 48 of 207 chemicals

Ethyl 4-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate chemical structure, C20H23ClN6O4, CAS 672942-07-3
Ethyl 4-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate
CAS 672942-07-3C20H23ClN6O4
7-Benzyl-3-methyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione chemical structure, C17H20N6O2, CAS 299419-33-3
7-Benzyl-3-methyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
CAS 299419-33-3C17H20N6O2
7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione chemical structure, C18H22N6O2, CAS 389060-02-0
7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione
CAS 389060-02-0C18H22N6O2
7-(2-Chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H21ClN6O2, CAS 374612-08-5
7-(2-Chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione
CAS 374612-08-5C18H21ClN6O2
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C19H23ClN6O2, CAS 359902-76-4
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CAS 359902-76-4C19H23ClN6O2
1,3-Dimethyl-7-(3-methylbenzyl)-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26N6O2, CAS 359901-61-4
1,3-Dimethyl-7-(3-methylbenzyl)-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 359901-61-4C20H26N6O2
3-Methyl-7-(3-methylbenzyl)-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H24N6O2, CAS 361174-74-5
3-Methyl-7-(3-methylbenzyl)-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 361174-74-5C19H24N6O2
8-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26N6O3, CAS 377054-78-9
8-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 377054-78-9C20H26N6O3
7-[(2-Chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione chemical structure, C19H23ClN6O3, CAS 401918-10-3
7-[(2-Chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione
CAS 401918-10-3C19H23ClN6O3
7-Benzyl-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H24N6O3, CAS 378199-06-5
7-Benzyl-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 378199-06-5C19H24N6O3
7-(2-Chlorobenzyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25ClN6O3, CAS 377055-11-3
7-(2-Chlorobenzyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 377055-11-3C20H25ClN6O3
7-(4-Fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21FN6O2, CAS 333755-22-9
7-(4-Fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 333755-22-9C18H21FN6O2
7-(4-Fluorobenzyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H23FN6O2, CAS 333755-23-0
7-(4-Fluorobenzyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 333755-23-0C19H23FN6O2
8-(4-Ethylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26N6O2, CAS 499210-88-7
8-(4-Ethylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 499210-88-7C20H26N6O2
3-Methyl-7-[(4-methylphenyl)methyl]-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C19H24N6O2, CAS 332103-52-3
3-Methyl-7-[(4-methylphenyl)methyl]-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CAS 332103-52-3C19H24N6O2
7-Benzyl-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C18H22N6O2, CAS 332103-57-8
7-Benzyl-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CAS 332103-57-8C18H22N6O2
7-(3-Bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21BrN6O2, CAS 313471-54-4
7-(3-Bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313471-54-4C18H21BrN6O2
7-Benzyl-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H24N6O2, CAS 302785-79-1
7-Benzyl-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
CAS 302785-79-1C19H24N6O2
7-(4-Chlorobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21ClN6O2, CAS 313471-55-5
7-(4-Chlorobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313471-55-5C18H21ClN6O2
7-(4-Chlorobenzyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H23ClN6O2, CAS 332103-60-3
7-(4-Chlorobenzyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 332103-60-3C19H23ClN6O2
7-(3-Bromobenzyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H23BrN6O2, CAS 332103-62-5
7-(3-Bromobenzyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 332103-62-5C19H23BrN6O2
8-(4-(2-Hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O3, CAS 442555-98-8
8-(4-(2-Hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 442555-98-8C21H28N6O3
7-[(2,4-Dichlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C19H22Cl2N6O2, CAS 359908-14-8
7-[(2,4-Dichlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CAS 359908-14-8C19H22Cl2N6O2
7-Benzyl-8-(4-ethylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H24N6O2, CAS 625822-50-6
7-Benzyl-8-(4-ethylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 625822-50-6C19H24N6O2