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Murcko scaffold

Ring system with 5 rings and 21 atoms

11 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
11
With full pages
3
Scaffold SMILES

O=c1ccn(C2CC2)c2cc(N3CC4CC3CN4)ccc12

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=c1ccn(C2CC2)c2cc(N3CC4CC3CN4)ccc12

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 11 of 11 chemicals

Danofloxacin mesylate chemical structure, C20H24FN3O6S, CAS 119478-55-6
Danofloxacin mesylate
CAS 119478-55-6C20H24FN3O6S
Danofloxacin chemical structure, C19H20FN3O3, CAS 112398-08-0
Danofloxacin
CAS 112398-08-0C19H20FN3O3
3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo(2.2.1)hept-2-yl)-4-oxo- chemical structure, C19H19F2N3O3, CAS 100936-58-1
3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo(2.2.1)hept-2-yl)-4-oxo-
CAS 100936-58-1C19H19F2N3O3
1-Cyclopropyl-6-fluoro-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid chemical structure, C19H20FN3O3, CAS 138808-76-1
1-Cyclopropyl-6-fluoro-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid
CAS 138808-76-1C19H20FN3O3
1-Cyclopropyl-6-fluoro-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid, methanesulfonic acid chemical structure, C20H24FN3O6S, CAS 138874-49-4
1-Cyclopropyl-6-fluoro-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid, methanesulfonic acid
CAS 138874-49-4C20H24FN3O6S
1-Cyclopropyl-6,8-difluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid chemical structure, C19H19F2N3O3, CAS 132339-22-1
1-Cyclopropyl-6,8-difluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid
CAS 132339-22-1C19H19F2N3O3
1-Cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid chemical structure, C18H18FN3O3, CAS 1220114-79-3
1-Cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CAS 1220114-79-3C18H18FN3O3
N-Desmethyldanofloxacin chemical structure, C18H18FN3O3, CAS 108461-04-7
N-Desmethyldanofloxacin
CAS 108461-04-7C18H18FN3O3
Danofloxacin-d3 mesylate chemical structure, C20H24FN3O6S, CAS 1217860-94-0
Danofloxacin-d3 mesylate
CAS 1217860-94-0C20H24FN3O6S
Danofloxacin-D3 chemical structure, C19H20FN3O3, CAS 1217683-55-0
Danofloxacin-D3
CAS 1217683-55-0C19H20FN3O3
1-Cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride chemical structure, C19H21ClFN3O3, CAS 2866253-99-6
1-Cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
CAS 2866253-99-6C19H21ClFN3O3