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Murcko scaffold

Phenylboronic acid 1,3-propanediol ester scaffold

308 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
12
Chemicals
308
With full pages
6
Scaffold SMILES

c1ccc(B2OCCCO2)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 scaffoldOpen the Phenylboronic acid 1,3-propanediol ester page
Murcko scaffold c1ccc(B2OCCCO2)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 308 chemicals

Tolboxane chemical structure, C14H21BO2, CAS 2430-46-8
Tolboxane
CAS 2430-46-8C14H21BO2
4-Methyl-2-phenyl-1,3,2-dioxaborinane chemical structure, C10H13BO2, CAS 6638-66-0
4-Methyl-2-phenyl-1,3,2-dioxaborinane
CAS 6638-66-0C10H13BO2
2-(4-Nitrophenyl)-1,3,2-dioxaborinane chemical structure, C9H10BNO4, CAS 85107-43-3
2-(4-Nitrophenyl)-1,3,2-dioxaborinane
CAS 85107-43-3C9H10BNO4
2-(3-Nitrophenyl)-1,3,2-dioxaborinane chemical structure, C9H10BNO4, CAS 85107-44-4
2-(3-Nitrophenyl)-1,3,2-dioxaborinane
CAS 85107-44-4C9H10BNO4
Phenylboronic acid 1,3-propanediol ester chemical structure, C9H11BO2, CAS 4406-77-3
Phenylboronic acid 1,3-propanediol ester
CAS 4406-77-3C9H11BO2
2-(3,5-Difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane chemical structure, C11H13BF2O2, CAS 216393-57-6
2-(3,5-Difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CAS 216393-57-6C11H13BF2O2
2-(4-Fluorophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane chemical structure, C12H16BFO2, CAS 1029653-69-7
2-(4-Fluorophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane
CAS 1029653-69-7C12H16BFO2
2-[2-(Bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane chemical structure, C12H16BBrO2, CAS 166821-88-1
2-[2-(Bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane
CAS 166821-88-1C12H16BBrO2
4-(1,3,2-Dioxaborinan-2-yl)benzaldehyde chemical structure, C10H11BO3, CAS 160068-88-2
4-(1,3,2-Dioxaborinan-2-yl)benzaldehyde
CAS 160068-88-2C10H11BO3
2-(4-Chlorophenyl)-1,3,2-dioxaborinane chemical structure, C9H10BClO2, CAS 373384-13-5
2-(4-Chlorophenyl)-1,3,2-dioxaborinane
CAS 373384-13-5C9H10BClO2
2-(1,3,2-Dioxaborinan-2-yl)benzonitrile chemical structure, C10H10BNO2, CAS 172732-52-4
2-(1,3,2-Dioxaborinan-2-yl)benzonitrile
CAS 172732-52-4C10H10BNO2
5,5-Dimethyl-2-(2-nitrophenyl)-1,3,2-dioxaborinane chemical structure, C11H14BNO4, CAS 849412-51-7
5,5-Dimethyl-2-(2-nitrophenyl)-1,3,2-dioxaborinane
CAS 849412-51-7C11H14BNO4
5,5-Dimethyl-2-(4-nitrophenyl)-1,3,2-dioxaborinane chemical structure, C11H14BNO4, CAS 502622-85-7
5,5-Dimethyl-2-(4-nitrophenyl)-1,3,2-dioxaborinane
CAS 502622-85-7C11H14BNO4
2-(3-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane chemical structure, C12H16BBrO2, CAS 223799-25-5
2-(3-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CAS 223799-25-5C12H16BBrO2
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde chemical structure, C12H15BO3, CAS 128376-65-8
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
CAS 128376-65-8C12H15BO3
2-Formylbenzeneboronic acid, neopentyl glycol ester chemical structure, C12H15BO3, CAS 95752-86-6
2-Formylbenzeneboronic acid, neopentyl glycol ester
CAS 95752-86-6C12H15BO3
2-[2-(Bromomethyl)phenyl]-1,3,2-dioxaborinane chemical structure, C10H12BBrO2, CAS 174900-86-8
2-[2-(Bromomethyl)phenyl]-1,3,2-dioxaborinane
CAS 174900-86-8C10H12BBrO2
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile chemical structure, C12H14BNO2, CAS 214360-47-1
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
CAS 214360-47-1C12H14BNO2
2-Fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic acid chemical structure, C15H20BFO4, CAS 120153-11-9
2-Fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic acid
CAS 120153-11-9C15H20BFO4
5,5-Dimethyl-2-(4-((propylthio)methyl)phenyl)-1,3,2-dioxaborinane chemical structure, C15H23BO2S, CAS 478357-54-9
5,5-Dimethyl-2-(4-((propylthio)methyl)phenyl)-1,3,2-dioxaborinane
CAS 478357-54-9C15H23BO2S
2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane chemical structure, C11H14BBrO2, CAS 635305-38-3
2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CAS 635305-38-3C11H14BBrO2
5,5-Dimethyl-2-(3-(trifluoromethyl)phenyl)-1,3,2-dioxaborinane chemical structure, C12H14BF3O2, CAS 635305-32-7
5,5-Dimethyl-2-(3-(trifluoromethyl)phenyl)-1,3,2-dioxaborinane
CAS 635305-32-7C12H14BF3O2
Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate chemical structure, C14H19BO4, CAS 346656-34-6
Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
CAS 346656-34-6C14H19BO4
2-(2-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane chemical structure, C11H14BFO2, CAS 346656-39-1
2-(2-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CAS 346656-39-1C11H14BFO2