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Murcko scaffold

Ring system with 3 rings and 24 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
4
With full pages
1
Scaffold SMILES

O=c1[nH]c(NCCSCc2ccco2)ncc1Cc1cccnc1

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(NCCSCc2ccco2)ncc1Cc1cccnc1

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 4 of 4 chemicals

2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one chemical structure, C18H20N4O2S, CAS 72717-05-6
2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one
CAS 72717-05-6C18H20N4O2S
2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one dihydrochloride chemical structure, C18H22Cl2N4O2S, CAS 91621-32-8
2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one dihydrochloride
CAS 91621-32-8C18H22Cl2N4O2S
Lupitidine chemical structure, C21H27N5O2S, CAS 83903-06-4
Lupitidine
CAS 83903-06-4C21H27N5O2S
Lupitidine hydrochloride chemical structure, C21H30Cl3N5O2S, CAS 72716-75-7
Lupitidine hydrochloride
CAS 72716-75-7C21H30Cl3N5O2S