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Murcko scaffold

Ring system with 4 rings and 26 atoms

14 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
14
With full pages
2
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCNCC3)n2CCCc2ccccc2)[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)n2CCCc2ccccc2)[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 14 of 14 chemicals

3-Methyl-8-(4-methylpiperazin-1-yl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26N6O2, CAS 332033-44-0
3-Methyl-8-(4-methylpiperazin-1-yl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
CAS 332033-44-0C20H26N6O2
8-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O3, CAS 361174-84-7
8-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
CAS 361174-84-7C21H28N6O3
8-[4-(2-Hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione chemical structure, C22H30N6O3, CAS 377061-67-1
8-[4-(2-Hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CAS 377061-67-1C22H30N6O3
8-(4-Ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O2, CAS 442864-50-8
8-(4-Ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
CAS 442864-50-8C21H28N6O2
3-Methyl-7-(3-phenyl-propyl)-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione chemical structure, C19H24N6O2, CAS 353255-08-0
3-Methyl-7-(3-phenyl-propyl)-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
CAS 353255-08-0C19H24N6O2
3-Methyl-8-[4-(2-methylpropyl)piperazin-1-yl]-7-(3-phenylpropyl)purine-2,6-dione chemical structure, C23H32N6O2, CAS 898464-37-4
3-Methyl-8-[4-(2-methylpropyl)piperazin-1-yl]-7-(3-phenylpropyl)purine-2,6-dione
CAS 898464-37-4C23H32N6O2
2-[4-[3-Methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]piperazin-1-yl]acetamide chemical structure, C21H27N7O3, CAS 895842-23-6
2-[4-[3-Methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]piperazin-1-yl]acetamide
CAS 895842-23-6C21H27N7O3
3-Methyl-8-(4-(2-methylallyl)piperazin-1-yl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H30N6O2, CAS 878432-23-6
3-Methyl-8-(4-(2-methylallyl)piperazin-1-yl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
CAS 878432-23-6C23H30N6O2
8-(4-Acetylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione chemical structure, C21H26N6O3, CAS 400753-65-3
8-(4-Acetylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CAS 400753-65-3C21H26N6O3
3-Methyl-7-(3-phenylpropyl)-8-(4-propylpiperazin-1-yl)purine-2,6-dione chemical structure, C22H30N6O2, CAS 887030-40-2
3-Methyl-7-(3-phenylpropyl)-8-(4-propylpiperazin-1-yl)purine-2,6-dione
CAS 887030-40-2C22H30N6O2
3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione chemical structure, C22H28N6O2, CAS 887030-41-3
3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione
CAS 887030-41-3C22H28N6O2
8-(4-Butylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H32N6O2, CAS 898428-23-4
8-(4-Butylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
CAS 898428-23-4C23H32N6O2
3-Methyl-8-(4-pentylpiperazin-1-yl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C24H34N6O2, CAS 898419-83-5
3-Methyl-8-(4-pentylpiperazin-1-yl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
CAS 898419-83-5C24H34N6O2
Ethyl 2-(4-(3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate chemical structure, C23H30N6O4, CAS 898464-41-0
Ethyl 2-(4-(3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate
CAS 898464-41-0C23H30N6O4