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Murcko scaffold

Ring system with 3 rings and 13 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
13
Chemicals
9
With full pages
4
Scaffold SMILES

c1nn(C2CC2)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(C2CC2)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 9 of 9 chemicals

1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C12H19BN2O2, CAS 1151802-22-0
1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 1151802-22-0C12H19BN2O2
1-(2-Fluorocyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C12H18BFN2O2, CAS 2304631-48-7
1-(2-Fluorocyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 2304631-48-7C12H18BFN2O2
1-Cyclopropyl-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C13H21BN2O2, CAS 2943971-99-9
1-Cyclopropyl-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 2943971-99-9C13H21BN2O2
1-Cyclopropyl-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C13H21BN2O2, CAS 2223055-71-6
1-Cyclopropyl-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 2223055-71-6C13H21BN2O2
1-(2,2-Difluorocyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole chemical structure, C12H17BF2N2O2, CAS 2322212-04-2
1-(2,2-Difluorocyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS 2322212-04-2C12H17BF2N2O2
Methyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)cyclopropane-1-carboxylate chemical structure, C14H21BN2O4, CAS 2883551-96-8
Methyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)cyclopropane-1-carboxylate
CAS 2883551-96-8C14H21BN2O4
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)cyclopropane-1-carbonitrile chemical structure, C13H18BN3O2, CAS 2415437-22-6
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)cyclopropane-1-carbonitrile
CAS 2415437-22-6C13H18BN3O2
1-(Cyclopropyl-d5)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-3,5-d2 chemical structure, C12H19BN2O2, CAS 2710290-73-4
1-(Cyclopropyl-d5)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-3,5-d2
CAS 2710290-73-4C12H19BN2O2
Methyl 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-3-carboxylate chemical structure, C14H21BN2O4, CAS 3089082-15-2
Methyl 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-3-carboxylate
CAS 3089082-15-2C14H21BN2O4