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Murcko scaffold

Ring system with 4 rings and 20 atoms

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
7
With full pages
1
Scaffold SMILES

O=c1ccn2c3c(c(N4CCNCC4)ccc13)OCN2

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=c1ccn2c3c(c(N4CCNCC4)ccc13)OCN2

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 7 of 7 chemicals

Marbofloxacin chemical structure, C17H19FN4O4, CAS 115550-35-1
Marbofloxacin
CAS 115550-35-1C17H19FN4O4
9-Fluoro-2,3-dihydro-3-methyl-7-oxo-10-(1-piperazinyl)-7H-pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid chemical structure, C16H17FN4O4, CAS 115550-36-2
9-Fluoro-2,3-dihydro-3-methyl-7-oxo-10-(1-piperazinyl)-7H-pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid
CAS 115550-36-2C16H17FN4O4
7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-methyl-1-piperazinyl)-7-oxo- chemical structure, C17H19FN4O4, CAS 115550-37-3
7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-methyl-1-piperazinyl)-7-oxo-
CAS 115550-37-3C17H19FN4O4
7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3,4-dimethyl-1-piperazinyl)-9-fluoro-3-methyl-7-oxo- chemical structure, C18H21FN4O4, CAS 115550-48-6
7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3,4-dimethyl-1-piperazinyl)-9-fluoro-3-methyl-7-oxo-
CAS 115550-48-6C18H21FN4O4
Marbofloxacin N-oxide chemical structure, C17H19FN4O5, CAS 194023-72-8
Marbofloxacin N-oxide
CAS 194023-72-8C17H19FN4O5
Marbofloxacin hydrochloride chemical structure, C17H20ClFN4O4, CAS 115551-26-3
Marbofloxacin hydrochloride
CAS 115551-26-3C17H20ClFN4O4
Marbofloxacin-d8 chemical structure, C17H19FN4O4, CAS 1185053-37-5
Marbofloxacin-d8
CAS 1185053-37-5C17H19FN4O4