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Murcko scaffold

Ring system with 4 rings and 27 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
6
With full pages
6
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccccc2)[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(SCCN3CCCCC3)n2Cc2ccccc2)[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 6 of 6 chemicals

1,3-Dimethyl-7-(4-methylbenzyl)-8-((2-(1-piperidinyl)ethyl)sulfanyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H29N5O2S, CAS 460360-78-5
1,3-Dimethyl-7-(4-methylbenzyl)-8-((2-(1-piperidinyl)ethyl)sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 460360-78-5C22H29N5O2S
7-Benzyl-3-methyl-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25N5O2S, CAS 442865-18-1
7-Benzyl-3-methyl-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione
CAS 442865-18-1C20H25N5O2S
7-(4-Chlorobenzyl)-1,3-dimethyl-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H26ClN5O2S, CAS 536719-40-1
7-(4-Chlorobenzyl)-1,3-dimethyl-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione
CAS 536719-40-1C21H26ClN5O2S
7-Benzyl-1,3-dimethyl-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27N5O2S, CAS 843626-82-4
7-Benzyl-1,3-dimethyl-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione
CAS 843626-82-4C21H27N5O2S
3-Methyl-7-[(4-methylphenyl)methyl]-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione chemical structure, C21H27N5O2S, CAS 374771-03-6
3-Methyl-7-[(4-methylphenyl)methyl]-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione
CAS 374771-03-6C21H27N5O2S
3-Methyl-7-(3-methylbenzyl)-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27N5O2S, CAS 442865-08-9
3-Methyl-7-(3-methylbenzyl)-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione
CAS 442865-08-9C21H27N5O2S