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Murcko scaffold

Ring system with 4 rings and 28 atoms

13 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
13
With full pages
3
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(NCc3ccco3)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(NCc3ccco3)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 13 of 13 chemicals

8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H23N5O5, CAS 333752-25-3
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 333752-25-3C21H23N5O5
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H25N5O5, CAS 333752-26-4
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333752-26-4C22H25N5O5
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H23N5O5, CAS 862483-74-7
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 862483-74-7C21H23N5O5
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H23N5O6, CAS 333752-29-7
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 333752-29-7C21H23N5O6
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H25N5O6, CAS 333752-30-0
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333752-30-0C22H25N5O6
8-((Furan-2-ylmethyl)amino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H21N5O4, CAS 876892-95-4
8-((Furan-2-ylmethyl)amino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione
CAS 876892-95-4C20H21N5O4
7-(3-(3,4-Dimethylphenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H25N5O5, CAS 879071-72-4
7-(3-(3,4-Dimethylphenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 879071-72-4C22H25N5O5
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H20ClN5O5, CAS 879071-87-1
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 879071-87-1C20H20ClN5O5
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H27N5O5, CAS 941873-49-0
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 941873-49-0C23H27N5O5
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H22ClN5O5, CAS 941937-96-8
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 941937-96-8C21H22ClN5O5
7-(3-(3,4-Dimethylphenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H27N5O5, CAS 923673-60-3
7-(3-(3,4-Dimethylphenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 923673-60-3C23H27N5O5
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H25N5O5, CAS 923234-50-8
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 923234-50-8C22H25N5O5
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H25N5O5, CAS 941937-15-1
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 941937-15-1C22H25N5O5