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Murcko scaffold

Ring system with 3 rings and 19 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
8
With full pages
0
Scaffold SMILES

c1ccc(-c2ccc(NC3CCCCO3)cc2)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(-c2ccc(NC3CCCCO3)cc2)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 8 of 8 chemicals

Benzidine N-glucuronide chemical structure, C18H20N2O6, CAS 85559-86-0
Benzidine N-glucuronide
CAS 85559-86-0C18H20N2O6
1-(Acetyl(4'-(acetylamino)(1,1'-biphenyl)-4-yl)amino)-1-deoxy-beta-D-glucopyranuronic acid chemical structure, C22H24N2O8, CAS 89014-15-3
1-(Acetyl(4'-(acetylamino)(1,1'-biphenyl)-4-yl)amino)-1-deoxy-beta-D-glucopyranuronic acid
CAS 89014-15-3C22H24N2O8
beta-D-Glucopyranuronic acid, 1-((1,1'-biphenyl)-4-ylhydroxyamino)-1-deoxy- chemical structure, C18H19NO7, CAS 72586-62-0
beta-D-Glucopyranuronic acid, 1-((1,1'-biphenyl)-4-ylhydroxyamino)-1-deoxy-
CAS 72586-62-0C18H19NO7
N-{3,3'-Dichloro-4'-[(1-hydroxyethylidene)amino][1,1'-biphenyl]-4-yl}hexopyranuronosylamine chemical structure, C20H20Cl2N2O7, CAS 86349-59-9
N-{3,3'-Dichloro-4'-[(1-hydroxyethylidene)amino][1,1'-biphenyl]-4-yl}hexopyranuronosylamine
CAS 86349-59-9C20H20Cl2N2O7
N-Acetylbenzidine N'-glucuronide chemical structure, C20H22N2O7, CAS 89014-14-2
N-Acetylbenzidine N'-glucuronide
CAS 89014-14-2C20H22N2O7
Monosodium 1-((1,1'-biphenyl)-4-ylhydroxyamino)-1-deoxybeta-D-glucopyranuronate chemical structure, C18H18NNaO7, CAS 64201-63-4
Monosodium 1-((1,1'-biphenyl)-4-ylhydroxyamino)-1-deoxybeta-D-glucopyranuronate
CAS 64201-63-4C18H18NNaO7
N,4-Biphenyl-N-hydroxy-D-glucuronosylamine chemical structure, C18H18NNaO7, CAS 67068-87-5
N,4-Biphenyl-N-hydroxy-D-glucuronosylamine
CAS 67068-87-5C18H18NNaO7
4-Aminobiphenyl |A-D-glucuronide sodium salt chemical structure, C18H18NNaO6, CAS 116490-30-3
4-Aminobiphenyl |A-D-glucuronide sodium salt
CAS 116490-30-3C18H18NNaO6