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Murcko scaffold

Ring system with 3 rings and 18 atoms

8 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 18
Chemicals: 8
With full pages: 1

Scaffold SMILES

O=C(c1ccc(B2OCCO2)cc1)N1CCCC1

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 O=C(c1ccc(B2OCCO2)cc1)N1CCCC1

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

(4-(Pyrrolidine-1-carbonyl)phenyl) boronic acid pinacol ester chemical structure, C17H24BNO3, CAS 1073353-55-5

(4-(Pyrrolidine-1-carbonyl)phenyl) boronic acid pinacol ester

CAS 1073353-55-5C₁₇H₂₄BNO₃

[2-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-pyrrolidin-1-yl-methanone chemical structure, C18H26BNO3, CAS 1092563-41-1

[2-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-pyrrolidin-1-yl-methanone

CAS 1092563-41-1C₁₈H₂₆BNO₃

1-[[3-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]pyrrolidine chemical structure, C18H26BNO3, CAS 1386860-56-5

1-[[3-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]pyrrolidine

CAS 1386860-56-5C₁₈H₂₆BNO₃

1-[[2-Methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]pyrrolidine chemical structure, C18H26BNO4, CAS 2484920-17-2

1-[[2-Methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]pyrrolidine

CAS 2484920-17-2C₁₈H₂₆BNO₄

(3,3-Difluoropyrrolidin-1-yl)(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone chemical structure, C17H21BF3NO3, CAS 1664295-72-0

(3,3-Difluoropyrrolidin-1-yl)(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone

CAS 1664295-72-0C₁₇H₂₁BF₃NO₃

tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)pyrrolidin-3-yl)carbamate chemical structure, C22H33BN2O5, CAS 1637325-23-5

tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)pyrrolidin-3-yl)carbamate

CAS 1637325-23-5C₂₂H₃₃BN₂O₅

(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(pyrrolidin-1-yl)methanone chemical structure, C17H23BFNO3, CAS 1084680-15-8

(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(pyrrolidin-1-yl)methanone

CAS 1084680-15-8C₁₇H₂₃BFNO₃

(3-Fluoro-3-methylpyrrolidin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone chemical structure, C18H25BFNO3, CAS 3035494-09-5

(3-Fluoro-3-methylpyrrolidin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone

CAS 3035494-09-5C₁₈H₂₅BFNO₃