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Murcko scaffold

Ring system with 4 rings and 25 atoms

24 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
24
With full pages
10
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(CN3CCN(Cc4ccccc4)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(Cc4ccccc4)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 24 of 24 chemicals

8-[(4-Benzylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione chemical structure, C25H36N6O2, CAS 851942-11-5
8-[(4-Benzylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione
CAS 851942-11-5C25H36N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione chemical structure, C23H32N6O2, CAS 868147-12-0
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CAS 868147-12-0C23H32N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione chemical structure, C24H34N6O2, CAS 851941-88-3
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CAS 851941-88-3C24H34N6O2
8-(4-Benzyl-piperazin-1-ylmethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C19H24N6O2, CAS 797028-14-9
8-(4-Benzyl-piperazin-1-ylmethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS 797028-14-9C19H24N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-propylpurine-2,6-dione chemical structure, C22H30N6O2, CAS 797028-24-1
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-propylpurine-2,6-dione
CAS 797028-24-1C22H30N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione chemical structure, C22H30N6O2, CAS 674306-01-5
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
CAS 674306-01-5C22H30N6O2
3-Methyl-8-{[4-benzylpiperazinyl]methyl}-1,3,7-trihydropurine-2,6-dione chemical structure, C18H22N6O2, CAS 839682-63-2
3-Methyl-8-{[4-benzylpiperazinyl]methyl}-1,3,7-trihydropurine-2,6-dione
CAS 839682-63-2C18H22N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H30N6O3, CAS 577766-25-7
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 577766-25-7C22H30N6O3
8-[(4-Benzylpiperazin-1-yl)methyl]-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H28N6O2, CAS 838888-82-7
8-[(4-Benzylpiperazin-1-yl)methyl]-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 838888-82-7C21H28N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H32N6O3, CAS 573950-51-3
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 573950-51-3C23H32N6O3
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione chemical structure, C23H30N6O3, CAS 674356-25-3
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
CAS 674356-25-3C23H30N6O3
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H32N6O2, CAS 847407-64-1
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
CAS 847407-64-1C23H32N6O2
2-[8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide chemical structure, C21H27N7O3, CAS 851940-86-8
2-[8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CAS 851940-86-8C21H27N7O3
8-[(4-Benzylpiperazin-1-yl)methyl]-7-butyl-1,3-dimethylpurine-2,6-dione chemical structure, C23H32N6O2, CAS 851937-65-0
8-[(4-Benzylpiperazin-1-yl)methyl]-7-butyl-1,3-dimethylpurine-2,6-dione
CAS 851937-65-0C23H32N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione chemical structure, C23H32N6O2, CAS 851941-68-9
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
CAS 851941-68-9C23H32N6O2
Methyl 2-[8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate chemical structure, C22H28N6O4, CAS 578762-37-5
Methyl 2-[8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
CAS 578762-37-5C22H28N6O4
8-[(4-Benzylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione chemical structure, C26H38N6O2, CAS 851942-29-5
8-[(4-Benzylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione
CAS 851942-29-5C26H38N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione chemical structure, C22H28N6O3, CAS 862979-96-2
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
CAS 862979-96-2C22H28N6O3
8-[(4-Benzylpiperazin-1-yl)methyl]-7-butyl-3-methylpurine-2,6-dione chemical structure, C22H30N6O2, CAS 847407-46-9
8-[(4-Benzylpiperazin-1-yl)methyl]-7-butyl-3-methylpurine-2,6-dione
CAS 847407-46-9C22H30N6O2
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H30N6O3, CAS 851941-50-9
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851941-50-9C22H30N6O3
2-(8-((4-Benzylpiperazin-1-yl)methyl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide chemical structure, C20H25N7O3, CAS 847409-50-1
2-(8-((4-Benzylpiperazin-1-yl)methyl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
CAS 847409-50-1C20H25N7O3
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione chemical structure, C22H30N6O3, CAS 847409-30-7
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione
CAS 847409-30-7C22H30N6O3
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-3-methylpurine-2,6-dione chemical structure, C21H28N6O3, CAS 847409-34-1
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-3-methylpurine-2,6-dione
CAS 847409-34-1C21H28N6O3
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione chemical structure, C21H28N6O3, CAS 896678-71-0
8-[(4-Benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CAS 896678-71-0C21H28N6O3