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Murcko scaffold

Ring system with 3 rings and 18 atoms

22 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
22
With full pages
3
Scaffold SMILES

c1cc(B2OCCO2)ccc1CN1CCNCC1

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 c1cc(B2OCCO2)ccc1CN1CCNCC1

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 22 of 22 chemicals

1-Ethyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine chemical structure, C19H31BN2O2, CAS 364794-83-2
1-Ethyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine
CAS 364794-83-2C19H31BN2O2
4-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid pinacol ester chemical structure, C18H29BN2O2, CAS 938043-30-2
4-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid pinacol ester
CAS 938043-30-2C18H29BN2O2
tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl)piperazine-1-carboxylate chemical structure, C22H35BN2O4, CAS 936694-19-8
tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl)piperazine-1-carboxylate
CAS 936694-19-8C22H35BN2O4
1-(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-methylpiperazine chemical structure, C18H28BClN2O2, CAS 2096331-37-0
1-(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-methylpiperazine
CAS 2096331-37-0C18H28BClN2O2
1-Ethyl-4-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine chemical structure, C20H33BN2O2, CAS 1092563-53-5
1-Ethyl-4-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
CAS 1092563-53-5C20H33BN2O2
1-(4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazin-1-yl)ethanone chemical structure, C19H29BN2O3, CAS 1206594-13-9
1-(4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazin-1-yl)ethanone
CAS 1206594-13-9C19H29BN2O3
1-Methanesulfonyl-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine chemical structure, C18H29BN2O4S, CAS 1206641-59-9
1-Methanesulfonyl-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine
CAS 1206641-59-9C18H29BN2O4S
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxamide chemical structure, C18H28BN3O3, CAS 1206641-61-3
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxamide
CAS 1206641-61-3C18H28BN3O3
1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-(methylsulfonyl)piperazine chemical structure, C18H28BFN2O4S, CAS 1404120-46-2
1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-(methylsulfonyl)piperazine
CAS 1404120-46-2C18H28BFN2O4S
2-(4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazin-1-yl)ethanol chemical structure, C19H31BN2O3, CAS 2088248-72-8
2-(4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazin-1-yl)ethanol
CAS 2088248-72-8C19H31BN2O3
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine chemical structure, C17H27BN2O2, CAS 1245505-23-0
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine
CAS 1245505-23-0C17H27BN2O2
tert-Butyl 4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate chemical structure, C22H34BFN2O4, CAS 1446819-62-0
tert-Butyl 4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate
CAS 1446819-62-0C22H34BFN2O4
1-Methyl-4-(1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)piperazine chemical structure, C19H31BN2O2, CAS 2724208-27-7
1-Methyl-4-(1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)piperazine
CAS 2724208-27-7C19H31BN2O2
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine hydrochloride chemical structure, C17H28BClN2O2, CAS 2377610-73-4
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine hydrochloride
CAS 2377610-73-4C17H28BClN2O2
1-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-yl)piperazine chemical structure, C19H31BN2O2, CAS 2088249-42-5
1-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-yl)piperazine
CAS 2088249-42-5C19H31BN2O2
2-(4-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-yl)piperazin-1-yl)ethan-1-ol chemical structure, C21H35BN2O3, CAS 2088249-43-6
2-(4-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-yl)piperazin-1-yl)ethan-1-ol
CAS 2088249-43-6C21H35BN2O3
1-(1-Methylethyl)-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine chemical structure, C20H33BN2O2, CAS 2125968-54-7
1-(1-Methylethyl)-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
CAS 2125968-54-7C20H33BN2O2
1-[[3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-(1-methylethyl)piperazine chemical structure, C20H32BFN2O2, CAS 2125968-49-0
1-[[3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-(1-methylethyl)piperazine
CAS 2125968-49-0C20H32BFN2O2
1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-isopropylpiperazine chemical structure, C20H32BFN2O2, CAS 2271090-20-9
1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-isopropylpiperazine
CAS 2271090-20-9C20H32BFN2O2
tert-Butyl 4-(2,6-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate chemical structure, C24H39BN2O6, CAS 2704619-20-3
tert-Butyl 4-(2,6-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate
CAS 2704619-20-3C24H39BN2O6
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine dihydrochloride chemical structure, C17H29BCl2N2O2, CAS 2828445-30-1
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine dihydrochloride
CAS 2828445-30-1C17H29BCl2N2O2
1-Ethyl-4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine chemical structure, C19H30BFN2O2, CAS 2246561-73-7
1-Ethyl-4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine
CAS 2246561-73-7C19H30BFN2O2