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Murcko scaffold

Ring system with 4 rings and 24 atoms

127 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
127
With full pages
23
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(CN3CCN(c4ccccc4)CC3)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(CN3CCN(c4ccccc4)CC3)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 48 of 127 chemicals

7-(2-Methoxy-ethyl)-1,3-dimethyl-8-(4-phenyl-piperazin-1-ylmethyl)-3,7-dihydro-purine-2,6-dione chemical structure, C21H28N6O3, CAS 578749-52-7
7-(2-Methoxy-ethyl)-1,3-dimethyl-8-(4-phenyl-piperazin-1-ylmethyl)-3,7-dihydro-purine-2,6-dione
CAS 578749-52-7C21H28N6O3
7-(2-Ethoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H30N6O3, CAS 851941-31-6
7-(2-Ethoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851941-31-6C22H30N6O3
7-Butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H29ClN6O2, CAS 851937-66-1
7-Butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione
CAS 851937-66-1C22H29ClN6O2
8-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H31ClN6O2, CAS 851941-04-3
8-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851941-04-3C23H31ClN6O2
7-(2-Ethoxyethyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H29FN6O3, CAS 851941-36-1
7-(2-Ethoxyethyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851941-36-1C22H29FN6O3
7-(2-Methoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H30N6O4, CAS 851941-18-9
7-(2-Methoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CAS 851941-18-9C22H30N6O4
8-((4-(3-Chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21ClN6O2, CAS 797028-15-0
8-((4-(3-Chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 797028-15-0C18H21ClN6O2
8-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H24N6O3, CAS 585556-05-4
8-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 585556-05-4C19H24N6O3
8-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione chemical structure, C18H21FN6O2, CAS 797775-67-8
8-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
CAS 797775-67-8C18H21FN6O2
8-[[4-(2-Fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione chemical structure, C18H21FN6O2, CAS 797775-69-0
8-[[4-(2-Fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione
CAS 797775-69-0C18H21FN6O2
8-((4-(4-Fluorophenyl)piperazin-1-yl)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H19FN6O2, CAS 868143-68-4
8-((4-(4-Fluorophenyl)piperazin-1-yl)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 868143-68-4C17H19FN6O2
8-[[4-(3-Chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7H-purine-2,6-dione chemical structure, C17H19ClN6O2, CAS 839681-59-3
8-[[4-(3-Chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7H-purine-2,6-dione
CAS 839681-59-3C17H19ClN6O2
8-[[4-(2-Fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7H-purine-2,6-dione chemical structure, C17H19FN6O2, CAS 838881-24-6
8-[[4-(2-Fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7H-purine-2,6-dione
CAS 838881-24-6C17H19FN6O2
8-((4-(5-Chloro-2-methylphenyl)piperazin-1-yl)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21ClN6O2, CAS 838899-81-3
8-((4-(5-Chloro-2-methylphenyl)piperazin-1-yl)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 838899-81-3C18H21ClN6O2
1,3-Dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H28N6O2, CAS 838869-56-0
1,3-Dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
CAS 838869-56-0C21H28N6O2
7-Butyl-8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C23H31ClN6O2, CAS 893945-66-9
7-Butyl-8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CAS 893945-66-9C23H31ClN6O2
7-Ethyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H25FN6O2, CAS 838884-33-6
7-Ethyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 838884-33-6C20H25FN6O2
8-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione chemical structure, C21H25FN6O3, CAS 838887-81-3
8-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione
CAS 838887-81-3C21H25FN6O3
Methyl (8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate chemical structure, C21H25FN6O4, CAS 838899-16-4
Methyl (8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
CAS 838899-16-4C21H25FN6O4
7-Ethyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione chemical structure, C20H26N6O2, CAS 838899-55-1
7-Ethyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
CAS 838899-55-1C20H26N6O2
8-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H30N6O4, CAS 868146-88-7
8-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
CAS 868146-88-7C23H30N6O4
8-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H25ClN6O2, CAS 851937-42-3
8-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851937-42-3C20H25ClN6O2
8-[[4-(4-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione chemical structure, C22H28N6O4, CAS 838901-00-1
8-[[4-(4-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione
CAS 838901-00-1C22H28N6O4
8-((4-(3-Chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H27ClN6O3, CAS 838905-34-3
8-((4-(3-Chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
CAS 838905-34-3C22H27ClN6O3