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Murcko scaffold

Ring system with 3 rings and 17 atoms

12 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
12
With full pages
3
Scaffold SMILES

c1cc(B2OCCO2)cc(N2CCNCC2)n1

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)cc(N2CCNCC2)n1

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 12 of 12 chemicals

2-(4-Methylpiperazin-1-yl)pyridine-4-boronic acid, pinacol ester chemical structure, C16H26BN3O2, CAS 832114-09-7
2-(4-Methylpiperazin-1-yl)pyridine-4-boronic acid, pinacol ester
CAS 832114-09-7C16H26BN3O2
2-(1-Piperaziny) pyridine-4-boronic acid pinacol ester chemical structure, C15H24BN3O2, CAS 957198-31-1
2-(1-Piperaziny) pyridine-4-boronic acid pinacol ester
CAS 957198-31-1C15H24BN3O2
2-(4-tert-Butoxycarbonylpiperazin-1-yl)pyridine-4-boronic acid, pinacol ester chemical structure, C20H32BN3O4, CAS 936250-21-4
2-(4-tert-Butoxycarbonylpiperazin-1-yl)pyridine-4-boronic acid, pinacol ester
CAS 936250-21-4C20H32BN3O4
1-(4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethanone chemical structure, C17H26BN3O3, CAS 1201644-37-2
1-(4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethanone
CAS 1201644-37-2C17H26BN3O3
1-(Methylsulfonyl)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine chemical structure, C16H26BN3O4S, CAS 1286756-76-0
1-(Methylsulfonyl)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine
CAS 1286756-76-0C16H26BN3O4S
1-Ethyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine chemical structure, C17H28BN3O2, CAS 1447764-67-1
1-Ethyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine
CAS 1447764-67-1C17H28BN3O2
5-Fluoro-2-(N-methylpiperazin-1-yl)pyridine-4-boronic acid pinacol ester chemical structure, C16H25BFN3O2, CAS 2223048-60-8
5-Fluoro-2-(N-methylpiperazin-1-yl)pyridine-4-boronic acid pinacol ester
CAS 2223048-60-8C16H25BFN3O2
2-Methyl-6-(N-methylpiperazin-1-yl)pyridine-4-boronic acid pinacol ester chemical structure, C17H28BN3O2, CAS 2223040-64-8
2-Methyl-6-(N-methylpiperazin-1-yl)pyridine-4-boronic acid pinacol ester
CAS 2223040-64-8C17H28BN3O2
tert-Butyl 4-[6-methoxycarbonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine-1-carboxylate chemical structure, C22H34BN3O6, CAS 1447763-28-1
tert-Butyl 4-[6-methoxycarbonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine-1-carboxylate
CAS 1447763-28-1C22H34BN3O6
tert-Butyl 4-(6-(methyl-d3)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl-3,5-d2)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8 chemical structure, C21H34BN3O4, CAS 2364585-60-2
tert-Butyl 4-(6-(methyl-d3)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl-3,5-d2)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8
CAS 2364585-60-2C21H34BN3O4
tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl-3,5,6-d3)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8 chemical structure, C20H32BN3O4, CAS 2368224-19-3
tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl-3,5,6-d3)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8
CAS 2368224-19-3C20H32BN3O4
2-(4-Boc-1-piperazinyl)-6-methylpyridine-4-boronic Acid Pinacol Ester chemical structure, C21H34BN3O4, CAS 2364587-03-9
2-(4-Boc-1-piperazinyl)-6-methylpyridine-4-boronic Acid Pinacol Ester
CAS 2364587-03-9C21H34BN3O4