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Murcko scaffold

Ring system with 3 rings and 17 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
5
With full pages
1
Scaffold SMILES

c1nn(CC2CCNCC2)cc1B1OCCO1

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 c1nn(CC2CCNCC2)cc1B1OCCO1

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 5 of 5 chemicals

tert-Butyl 4-hydroxy-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}piperidine-1-carboxylate chemical structure, C20H34BN3O5, CAS 877399-39-8
tert-Butyl 4-hydroxy-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}piperidine-1-carboxylate
CAS 877399-39-8C20H34BN3O5
tert-Butyl 4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}piperidine-1-carboxylate chemical structure, C20H34BN3O4, CAS 1092563-72-8
tert-Butyl 4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}piperidine-1-carboxylate
CAS 1092563-72-8C20H34BN3O4
1-Piperidinecarboxylic acid, 4-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl]-, 1,1-dimethylethyl ester chemical structure, C21H36BN3O4, CAS 1488344-26-8
1-Piperidinecarboxylic acid, 4-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl]-, 1,1-dimethylethyl ester
CAS 1488344-26-8C21H36BN3O4
4-[3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-ylmethyl]-piperidine-1-carboxylic acid tert-butyl ester chemical structure, C22H38BN3O4, CAS 1092564-22-1
4-[3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-ylmethyl]-piperidine-1-carboxylic acid tert-butyl ester
CAS 1092564-22-1C22H38BN3O4
4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}piperidine chemical structure, C15H26BN3O2, CAS 2247784-96-7
4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}piperidine
CAS 2247784-96-7C15H26BN3O2