CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 23 atoms

61 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
61
With full pages
19
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(N3CCN(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(N3CCN(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 61 chemicals

7-(2-Methoxyethyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26N6O4, CAS 442864-53-1
7-(2-Methoxyethyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442864-53-1C20H26N6O4
7-(2-Ethoxy-ethyl)-1,3-dimethyl-8-(4-phenyl-piperazin-1-yl)-3,7-dihydro-purine-2,6-dione chemical structure, C21H28N6O3, CAS 673495-40-4
7-(2-Ethoxy-ethyl)-1,3-dimethyl-8-(4-phenyl-piperazin-1-yl)-3,7-dihydro-purine-2,6-dione
CAS 673495-40-4C21H28N6O3
7-(2-Ethoxyethyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O4, CAS 442557-93-9
7-(2-Ethoxyethyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442557-93-9C21H28N6O4
7-Hexyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H32N6O2, CAS 378210-66-3
7-Hexyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 378210-66-3C23H32N6O2
7-Hexyl-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione chemical structure, C22H30N6O2, CAS 578744-92-0
7-Hexyl-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione
CAS 578744-92-0C22H30N6O2
8-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-7-pentylpurine-2,6-dione chemical structure, C21H27ClN6O2, CAS 578744-09-9
8-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-7-pentylpurine-2,6-dione
CAS 578744-09-9C21H27ClN6O2
8-[4-(3-Chlorophenyl)piperazin-1-yl]-7-hexyl-3-methylpurine-2,6-dione chemical structure, C22H29ClN6O2, CAS 578744-31-7
8-[4-(3-Chlorophenyl)piperazin-1-yl]-7-hexyl-3-methylpurine-2,6-dione
CAS 578744-31-7C22H29ClN6O2
8-[4-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione chemical structure, C21H27ClN6O2, CAS 585552-26-7
8-[4-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CAS 585552-26-7C21H27ClN6O2
7-(2-Methoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H28N6O4, CAS 844660-42-0
7-(2-Methoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
CAS 844660-42-0C21H28N6O4
7-(2-Ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H30N6O4, CAS 848866-55-7
7-(2-Ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
CAS 848866-55-7C22H30N6O4
1,3-Dimethyl-8-(4-phenyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H20N6O2, CAS 40171-76-4
1,3-Dimethyl-8-(4-phenyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 40171-76-4C17H20N6O2
3-Methyl-8-(4-phenyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H18N6O2, CAS 476482-37-8
3-Methyl-8-(4-phenyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476482-37-8C16H18N6O2
1,3-Dimethyl-7-(2-methylallyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H26N6O2, CAS 378216-11-6
1,3-Dimethyl-7-(2-methylallyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 378216-11-6C21H26N6O2
3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione chemical structure, C21H28N6O2, CAS 377068-41-2
3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
CAS 377068-41-2C21H28N6O2
7-Allyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H24N6O2, CAS 377053-39-9
7-Allyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 377053-39-9C20H24N6O2
3-Methyl-7-(2-methylallyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H24N6O2, CAS 361174-91-6
3-Methyl-7-(2-methylallyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 361174-91-6C20H24N6O2
7-Allyl-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H22N6O2, CAS 361174-93-8
7-Allyl-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 361174-93-8C19H22N6O2
7-Allyl-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H24N6O3, CAS 442864-48-4
7-Allyl-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442864-48-4C20H24N6O3
7-Isopentyl-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H30N6O3, CAS 498535-81-2
7-Isopentyl-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 498535-81-2C22H30N6O3
7-Isopentyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H30N6O2, CAS 377053-81-1
7-Isopentyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 377053-81-1C22H30N6O2
8-[4-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-7-prop-2-enylpurine-2,6-dione chemical structure, C19H21ClN6O2, CAS 578762-93-3
8-[4-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-7-prop-2-enylpurine-2,6-dione
CAS 578762-93-3C19H21ClN6O2
8-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione chemical structure, C21H26N6O3, CAS 797775-42-9
8-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
CAS 797775-42-9C21H26N6O3
1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione chemical structure, C18H21N7O4, CAS 330633-97-1
1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione
CAS 330633-97-1C18H21N7O4
7-(2-Ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26N6O3, CAS 442557-91-7
7-(2-Ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 442557-91-7C20H26N6O3