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Murcko scaffold

Ring system with 4 rings and 29 atoms

26 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
26
With full pages
5
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(NCc3ccccc3)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(NCc3ccccc3)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 26 of 26 chemicals

8-(Benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C23H25N5O5, CAS 313230-34-1
8-(Benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 313230-34-1C23H25N5O5
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione chemical structure, C24H27N5O4, CAS 313469-94-2
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
CAS 313469-94-2C24H27N5O4
8-(Benzylamino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H27N5O4, CAS 333305-38-7
8-(Benzylamino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333305-38-7C24H27N5O4
8-(Benzylamino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H24ClN5O4, CAS 333305-41-2
8-(Benzylamino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333305-41-2C23H24ClN5O4
8-(Benzyl(methyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C25H29N5O5, CAS 333755-35-4
8-(Benzyl(methyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333755-35-4C25H29N5O5
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione chemical structure, C24H27N5O5, CAS 505080-70-6
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
CAS 505080-70-6C24H27N5O5
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione chemical structure, C25H29N5O5, CAS 505080-72-8
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
CAS 505080-72-8C25H29N5O5
8-(Benzyl(methyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H27N5O4, CAS 868146-45-6
8-(Benzyl(methyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 868146-45-6C24H27N5O4
8-[Benzyl(methyl)amino]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H22Br3N5O4, CAS 477333-64-5
8-[Benzyl(methyl)amino]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 477333-64-5C23H22Br3N5O4
8-(Benzyl(methyl)amino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H24ClN5O4, CAS 332904-84-4
8-(Benzyl(methyl)amino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 332904-84-4C23H24ClN5O4
8-[Benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H24BrN5O4, CAS 477333-75-8
8-[Benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 477333-75-8C23H24BrN5O4
8-[Benzyl(methyl)amino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H24N6O6, CAS 477333-66-7
8-[Benzyl(methyl)amino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 477333-66-7C23H24N6O6
8-(Benzyl(methyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C25H29N5O4, CAS 402952-05-0
8-(Benzyl(methyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 402952-05-0C25H29N5O4
8-(Benzyl(methyl)amino)-7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C25H29N5O4, CAS 332904-69-5
8-(Benzyl(methyl)amino)-7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 332904-69-5C25H29N5O4
8-(Benzylamino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H27N5O5, CAS 333755-34-3
8-(Benzylamino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333755-34-3C24H27N5O5
8-(Benzylamino)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H27N5O4, CAS 879071-79-1
8-(Benzylamino)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 879071-79-1C24H27N5O4
8-(Benzylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H23N5O3, CAS 887866-82-2
8-(Benzylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione
CAS 887866-82-2C22H23N5O3
8-(Benzyl(methyl)amino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H25N5O3, CAS 887866-88-8
8-(Benzyl(methyl)amino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione
CAS 887866-88-8C23H25N5O3
8-(Benzylamino)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H27N5O4, CAS 941873-47-8
8-(Benzylamino)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 941873-47-8C24H27N5O4
8-(Benzylamino)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C25H29N5O4, CAS 923677-10-5
8-(Benzylamino)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 923677-10-5C25H29N5O4
8-(Benzyl(methyl)amino)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C25H29N5O4, CAS 899724-78-8
8-(Benzyl(methyl)amino)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 899724-78-8C25H29N5O4
8-(Benzyl(methyl)amino)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C25H29N5O4, CAS 941937-13-9
8-(Benzyl(methyl)amino)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 941937-13-9C25H29N5O4
8-(Benzyl(methyl)amino)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C26H31N5O4, CAS 941937-03-7
8-(Benzyl(methyl)amino)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 941937-03-7C26H31N5O4
8-(Benzyl(methyl)amino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H26ClN5O4, CAS 941938-00-7
8-(Benzyl(methyl)amino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 941938-00-7C24H26ClN5O4