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Murcko scaffold

Ring system with 3 rings and 16 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
7
With full pages
2
Scaffold SMILES

c1cc2cc(OC3CCCCO3)ccc2[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 c1cc2cc(OC3CCCCO3)ccc2[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 7 of 7 chemicals

6-Methoxy-1H-indol-5-yl beta-D-glucopyranosiduronic acid chemical structure, C15H17NO8, CAS 77463-71-9
6-Methoxy-1H-indol-5-yl beta-D-glucopyranosiduronic acid
CAS 77463-71-9C15H17NO8
N,N-Dimethyl-O-glucopyranuronosyl-5-hydroxytryptamine chemical structure, C18H24N2O7, CAS 17598-73-1
N,N-Dimethyl-O-glucopyranuronosyl-5-hydroxytryptamine
CAS 17598-73-1C18H24N2O7
3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl beta-D-glucopyranoside chemical structure, C18H26N2O6, CAS 64656-15-1
3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl beta-D-glucopyranoside
CAS 64656-15-1C18H26N2O6
N-Acetylserotonin glucuronide chemical structure, C18H22N2O8, CAS 18430-06-3
N-Acetylserotonin glucuronide
CAS 18430-06-3C18H22N2O8
3-(2-Hydroxyethyl)-1H-indol-5-yl beta-D-glucopyranosiduronic acid chemical structure, C16H19NO8, CAS 27939-38-4
3-(2-Hydroxyethyl)-1H-indol-5-yl beta-D-glucopyranosiduronic acid
CAS 27939-38-4C16H19NO8
Serotonin glucuronide chemical structure, C16H20N2O7, CAS 18186-43-1
Serotonin glucuronide
CAS 18186-43-1C16H20N2O7
5-Hydroxypindolol glucuronide chemical structure, C20H28N2O9, CAS 58670-77-2
5-Hydroxypindolol glucuronide
CAS 58670-77-2C20H28N2O9