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Murcko scaffold

Ring system with 3 rings and 19 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
9
With full pages
3
Scaffold SMILES

O=C(c1cccc(B2OCCO2)c1)N1CCNCC1

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(c1cccc(B2OCCO2)c1)N1CCNCC1

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 9 of 9 chemicals

1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine chemical structure, C18H27BN2O3, CAS 883738-38-3
1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine
CAS 883738-38-3C18H27BN2O3
(3-(4-BOC-piperazine-1-carbonyl)phenyl)boronic acid pinacol ester chemical structure, C22H33BN2O5, CAS 883738-41-8
(3-(4-BOC-piperazine-1-carbonyl)phenyl)boronic acid pinacol ester
CAS 883738-41-8C22H33BN2O5
1-Ethyl-4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine chemical structure, C19H29BN2O3, CAS 1036990-36-9
1-Ethyl-4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine
CAS 1036990-36-9C19H29BN2O3
1-{-4-[2-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoyl]-piperazin-1-yl}-ethanone chemical structure, C20H29BN2O4, CAS 1431542-20-9
1-{-4-[2-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoyl]-piperazin-1-yl}-ethanone
CAS 1431542-20-9C20H29BN2O4
1-[4-[3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-1-yl]ethanone chemical structure, C20H29BN2O4, CAS 1431542-26-5
1-[4-[3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-1-yl]ethanone
CAS 1431542-26-5C20H29BN2O4
1-[4-[3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-1-yl]ethanone chemical structure, C19H26BClN2O4, CAS 1431542-25-4
1-[4-[3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-1-yl]ethanone
CAS 1431542-25-4C19H26BClN2O4
1-[4-[3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-1-yl]ethanone chemical structure, C20H29BN2O5, CAS 1431542-24-3
1-[4-[3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-1-yl]ethanone
CAS 1431542-24-3C20H29BN2O5
[3-(Piperazine-1-carbonyl)phenyl] boronic acid pinacol ester hydrochloride chemical structure, C17H26BClN2O3, CAS 2724208-44-8
[3-(Piperazine-1-carbonyl)phenyl] boronic acid pinacol ester hydrochloride
CAS 2724208-44-8C17H26BClN2O3
2-{4-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-1-yl}ethan-1-ol chemical structure, C19H29BN2O4, CAS 1112789-86-2
2-{4-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-1-yl}ethan-1-ol
CAS 1112789-86-2C19H29BN2O4