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Murcko scaffold

Ring system with 3 rings and 16 atoms

85 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
85
With full pages
4
Scaffold SMILES

c1ccc(-n2cc(B3OCCO3)cn2)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(-n2cc(B3OCCO3)cn2)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 48 of 85 chemicals

5-Methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C16H21BN2O2, CAS 849776-88-1
5-Methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 849776-88-1C16H21BN2O2
1-(4-Methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trimethylsilyl)-1H-pyrazole chemical structure, C19H29BN2O3Si, CAS 1002334-20-4
1-(4-Methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trimethylsilyl)-1H-pyrazole
CAS 1002334-20-4C19H29BN2O3Si
1-(2,6-Dichlorophenyl)pyrazole-4-boronic acid, pinacol ester chemical structure, C15H17BCl2N2O2, CAS 2096338-01-9
1-(2,6-Dichlorophenyl)pyrazole-4-boronic acid, pinacol ester
CAS 2096338-01-9C15H17BCl2N2O2
1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C15H19BN2O2, CAS 1002334-12-4
1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1002334-12-4C15H19BN2O2
1-(2-Trifluoromethylphenyl)-1H-pyrazole-4-boronic acid pinacol ester chemical structure, C16H18BF3N2O2, CAS 1402233-44-6
1-(2-Trifluoromethylphenyl)-1H-pyrazole-4-boronic acid pinacol ester
CAS 1402233-44-6C16H18BF3N2O2
1-(2-Methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C16H21BN2O3, CAS 1402173-06-1
1-(2-Methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1402173-06-1C16H21BN2O3
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)benzonitrile chemical structure, C16H18BN3O2, CAS 1402166-71-5
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)benzonitrile
CAS 1402166-71-5C16H18BN3O2
1-(2-Chlorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C15H18BClN2O2, CAS 1402174-38-2
1-(2-Chlorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1402174-38-2C15H18BClN2O2
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)benzonitrile chemical structure, C16H18BN3O2, CAS 1402166-72-6
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)benzonitrile
CAS 1402166-72-6C16H18BN3O2
1-(4-Chlorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C15H18BClN2O2, CAS 1402174-37-1
1-(4-Chlorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1402174-37-1C15H18BClN2O2
1-(4-Ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C17H23BN2O2, CAS 1402172-70-6
1-(4-Ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1402172-70-6C17H23BN2O2
1-(4-tert-Butylphenyl)-1H-pyrazole-4-boronic acid pinacol ester chemical structure, C19H27BN2O2, CAS 1402233-29-7
1-(4-tert-Butylphenyl)-1H-pyrazole-4-boronic acid pinacol ester
CAS 1402233-29-7C19H27BN2O2
1-(3,5-Difluorophenyl)-1H-pyrazole-4-boronic acid pinacol ester chemical structure, C15H17BF2N2O2, CAS 1402174-49-5
1-(3,5-Difluorophenyl)-1H-pyrazole-4-boronic acid pinacol ester
CAS 1402174-49-5C15H17BF2N2O2
1-(3,4-Difluorophenyl)-1H-pyrazole-4-boronic acid pinacol ester chemical structure, C15H17BF2N2O2, CAS 1402174-48-4
1-(3,4-Difluorophenyl)-1H-pyrazole-4-boronic acid pinacol ester
CAS 1402174-48-4C15H17BF2N2O2
1-(2-Methyl-4-fluorophenyl)-1H-pyrazole-4-boronic acid pinacol ester chemical structure, C16H20BFN2O2, CAS 1402173-92-5
1-(2-Methyl-4-fluorophenyl)-1H-pyrazole-4-boronic acid pinacol ester
CAS 1402173-92-5C16H20BFN2O2
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(p-tolyl)-1H-pyrazole chemical structure, C16H21BN2O2, CAS 2223012-84-6
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(p-tolyl)-1H-pyrazole
CAS 2223012-84-6C16H21BN2O2
1-(4-Fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C15H18BFN2O2, CAS 1373918-57-0
1-(4-Fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1373918-57-0C15H18BFN2O2
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole chemical structure, C16H18BF3N2O2, CAS 1402233-46-8
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole
CAS 1402233-46-8C16H18BF3N2O2
1-(4-Methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C16H21BN2O3, CAS 1402173-08-3
1-(4-Methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1402173-08-3C16H21BN2O3
1-(3-Tolyl)-1H-pyrazole-4-boronic acid pinacol ester chemical structure, C16H21BN2O2, CAS 2223050-54-0
1-(3-Tolyl)-1H-pyrazole-4-boronic acid pinacol ester
CAS 2223050-54-0C16H21BN2O2
1-(3-Fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C15H18BFN2O2, CAS 1402240-90-7
1-(3-Fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1402240-90-7C15H18BFN2O2
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole chemical structure, C16H18BF3N2O2, CAS 1402233-45-7
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole
CAS 1402233-45-7C16H18BF3N2O2
1-(3-Methoxyphenyl)-1H-pyrazole-4-boronic acid pinacol ester chemical structure, C16H21BN2O3, CAS 1402173-07-2
1-(3-Methoxyphenyl)-1H-pyrazole-4-boronic acid pinacol ester
CAS 1402173-07-2C16H21BN2O3
1-(2-Methylphenyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C16H21BN2O2, CAS 2223054-30-4
1-(2-Methylphenyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 2223054-30-4C16H21BN2O2