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Murcko scaffold

Ring system with 3 rings and 22 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
5
With full pages
1
Scaffold SMILES

C(#CC(c1ccccc1)C1CCCCC1)CN1CCCCC1

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 C(#CC(c1ccccc1)C1CCCCC1)CN1CCCCC1

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 5 of 5 chemicals

Hexbutinol chemical structure, C21H29NO, CAS 117828-61-2
Hexbutinol
CAS 117828-61-2C21H29NO
Hexbutinol methiodide chemical structure, C22H32INO, CAS 127471-24-3
Hexbutinol methiodide
CAS 127471-24-3C22H32INO
1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide chemical structure, C22H32BrNO, CAS 2110-42-1
1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide
CAS 2110-42-1C22H32BrNO
Cyclohexanemethanol, alpha-phenyl-alpha-(3-piperidino-1-propynyl)-, hydrochloride chemical structure, C21H30ClNO, CAS 2269-28-5
Cyclohexanemethanol, alpha-phenyl-alpha-(3-piperidino-1-propynyl)-, hydrochloride
CAS 2269-28-5C21H30ClNO
4-Fluorohexbutinol chemical structure, C21H28FNO, CAS 127471-25-4
4-Fluorohexbutinol
CAS 127471-25-4C21H28FNO