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Murcko scaffold

Ring system with 3 rings and 18 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
5
With full pages
0
Scaffold SMILES

c1ccc(CCCc2ccc3c(c2)OCO3)cc1

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 c1ccc(CCCc2ccc3c(c2)OCO3)cc1

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

4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol chemical structure, C16H16O3, CAS 40135-87-3
4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol
CAS 40135-87-3C16H16O3
5-[3-(4-Methoxyphenyl)propyl]-2H-1,3-benzodioxole chemical structure, C17H18O3, CAS 50479-31-7
5-[3-(4-Methoxyphenyl)propyl]-2H-1,3-benzodioxole
CAS 50479-31-7C17H18O3
Virolane chemical structure, C17H18O4, CAS 41365-30-4
Virolane
CAS 41365-30-4C17H18O4
3-(2H-1,3-Benzodioxol-5-yl)-1-phenylpropan-1-amine--hydrogen chloride (1/1) chemical structure, C16H18ClNO2, CAS 6273-66-1
3-(2H-1,3-Benzodioxol-5-yl)-1-phenylpropan-1-amine--hydrogen chloride (1/1)
CAS 6273-66-1C16H18ClNO2
3-(2H-1,3-Benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-amine--hydrogen chloride (1/1) chemical structure, C19H24ClNO5, CAS 6271-06-3
3-(2H-1,3-Benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-amine--hydrogen chloride (1/1)
CAS 6271-06-3C19H24ClNO5