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Murcko scaffold

Ring system with 4 rings and 27 atoms

57 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
57
With full pages
5
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCNCC3)n2CCCOc2ccccc2)[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)n2CCCOc2ccccc2)[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 57 chemicals

7-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione chemical structure, C20H26N6O5, CAS 312915-48-3
7-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
CAS 312915-48-3C20H26N6O5
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26N6O4, CAS 313396-00-8
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313396-00-8C20H26N6O4
7-(2-Hydroxy-3-phenoxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C20H26N6O4, CAS 332103-53-4
7-(2-Hydroxy-3-phenoxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CAS 332103-53-4C20H26N6O4
7-(2-Hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25N7O6, CAS 332103-55-6
7-(2-Hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 332103-55-6C20H25N7O6
7-(3-(2,4-Dichlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H24Cl2N6O4, CAS 332103-56-7
7-(3-(2,4-Dichlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 332103-56-7C20H24Cl2N6O4
7-(3-(4-Bromophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25BrN6O4, CAS 332103-75-0
7-(3-(4-Bromophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 332103-75-0C20H25BrN6O4
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27ClN6O4, CAS 333305-43-4
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 333305-43-4C21H27ClN6O4
7-(3-(4-Ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O4, CAS 335403-13-9
7-(3-(4-Ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 335403-13-9C21H28N6O4
7-(3-(4-Ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H30N6O4, CAS 335403-14-0
7-(3-(4-Ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 335403-14-0C22H30N6O4
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O5, CAS 333755-39-8
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 333755-39-8C21H28N6O5
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H30N6O5, CAS 333755-40-1
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 333755-40-1C22H30N6O5
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H30N6O6, CAS 505080-65-9
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 505080-65-9C22H30N6O6
8-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione chemical structure, C22H30N6O5, CAS 505080-66-0
8-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
CAS 505080-66-0C22H30N6O5
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H32N6O6, CAS 505081-07-2
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 505081-07-2C23H32N6O6
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H32N6O5, CAS 510717-20-1
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 510717-20-1C23H32N6O5
7-(2-Hydroxy-3-phenoxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O5, CAS 510717-28-9
7-(2-Hydroxy-3-phenoxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 510717-28-9C21H28N6O5
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27ClN6O5, CAS 510717-36-9
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 510717-36-9C21H27ClN6O5
7-[2-Hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C21H28N6O4, CAS 332103-54-5
7-[2-Hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CAS 332103-54-5C21H28N6O4
7-(2-Hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N6O4, CAS 845804-55-9
7-(2-Hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 845804-55-9C21H28N6O4
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H25ClN6O4, CAS 332904-83-3
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 332904-83-3C20H25ClN6O4
7-(3-(4-Bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27BrN6O5, CAS 536719-04-7
7-(3-(4-Bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 536719-04-7C21H27BrN6O5
8-(4-Ethylpiperazin-1-yl)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H32N6O4, CAS 850744-95-5
8-(4-Ethylpiperazin-1-yl)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 850744-95-5C23H32N6O4
7-(2-Hydroxy-3-(m-tolyloxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H30N6O5, CAS 850243-81-1
7-(2-Hydroxy-3-(m-tolyloxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 850243-81-1C22H30N6O5
7-(2-Hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H23N7O6, CAS 476294-12-9
7-(2-Hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 476294-12-9C19H23N7O6