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Murcko scaffold

Ring system with 5 rings and 23 atoms

62 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
23
Chemicals
62
With full pages
9
Scaffold SMILES

O=c1ccn(C2CC2)c2cc(N3CC4CCCNC4C3)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(N3CC4CCCNC4C3)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 48 of 62 chemicals

1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid chemical structure, C21H24FN3O4, CAS 354812-41-2
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid
CAS 354812-41-2C21H24FN3O4
Moxifloxacin hydrochloride chemical structure, C21H25ClFN3O4, CAS 186826-86-8
Moxifloxacin hydrochloride
CAS 186826-86-8C21H25ClFN3O4
3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, hydrochloride (1:1) chemical structure, C20H22Cl2FN3O3, CAS 144194-96-7
3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, hydrochloride (1:1)
CAS 144194-96-7C20H22Cl2FN3O3
BAY-Y-3118 free base chemical structure, C20H21ClFN3O3, CAS 151213-16-0
BAY-Y-3118 free base
CAS 151213-16-0C20H21ClFN3O3
Moxifloxacin chemical structure, C21H24FN3O4, CAS 151096-09-2
Moxifloxacin
CAS 151096-09-2C21H24FN3O4
7-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride chemical structure, C21H25ClFN3O4, CAS 1185253-35-3
7-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride
CAS 1185253-35-3C21H25ClFN3O4
1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-1-methylhexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chemical structure, C21H23F2N3O3, CAS 151213-35-3
1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-1-methylhexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS 151213-35-3C21H23F2N3O3
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid chemical structure, C21H25N3O4, CAS 959347-97-8
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid
CAS 959347-97-8C21H25N3O4
3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo- chemical structure, C20H21ClFN3O3, CAS 128740-61-4
3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-
CAS 128740-61-4C20H21ClFN3O3
7-[(4aR,7aS)-1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid chemical structure, C21H24FN3O4, CAS 855661-71-1
7-[(4aR,7aS)-1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CAS 855661-71-1C21H24FN3O4
Pradofloxacin hydrochloride chemical structure, C21H22ClFN4O3, CAS 195532-14-0
Pradofloxacin hydrochloride
CAS 195532-14-0C21H22ClFN4O3
Pradofloxacin chemical structure, C21H21FN4O3, CAS 195532-12-8
Pradofloxacin
CAS 195532-12-8C21H21FN4O3
Moxifloxacin hydrochloride monohydrate chemical structure, C21H27ClFN3O5, CAS 192927-63-2
Moxifloxacin hydrochloride monohydrate
CAS 192927-63-2C21H27ClFN3O5
Moxifloxacin EP Impurity A HCl chemical structure, C20H22ClF2N3O3, CAS 151282-23-4
Moxifloxacin EP Impurity A HCl
CAS 151282-23-4C20H22ClF2N3O3
7-((4aS,7aS)-1,2,4a,5,7,7a-Hexahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3H-quinoline-3-carboxylic acid chemical structure, C20H21F2N3O3, CAS 151213-15-9
7-((4aS,7aS)-1,2,4a,5,7,7a-Hexahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3H-quinoline-3-carboxylic acid
CAS 151213-15-9C20H21F2N3O3
Moxifloxacin, (R)- chemical structure, C21H24FN3O4, CAS 268545-13-7
Moxifloxacin, (R)-
CAS 268545-13-7C21H24FN3O4
J2Euy3fcl6 chemical structure, C20H21F2N3O3, CAS 151213-21-7
J2Euy3fcl6
CAS 151213-21-7C20H21F2N3O3
Moxifloxacin acyl sulfate chemical structure, C21H24FN3O7S, CAS 1217665-86-5
Moxifloxacin acyl sulfate
CAS 1217665-86-5C21H24FN3O7S
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-1-methyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid chemical structure, C22H26FN3O4, CAS 1179992-99-4
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-1-methyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid
CAS 1179992-99-4C22H26FN3O4
(R,R)-Bay-Y 3118 chemical structure, C20H21ClFN3O3, CAS 151213-22-8
(R,R)-Bay-Y 3118
CAS 151213-22-8C20H21ClFN3O3
Decarboxy moxifloxacin chemical structure, C20H24FN3O2, CAS 1322062-57-6
Decarboxy moxifloxacin
CAS 1322062-57-6C20H24FN3O2
rac cis Moxifloxacin-d4 Hydrochloride chemical structure, C21H25ClFN3O4, CAS 1217802-65-7
rac cis Moxifloxacin-d4 Hydrochloride
CAS 1217802-65-7C21H25ClFN3O4
8-Hydroxy moxifloxacin hydrobromide chemical structure, C20H23BrFN3O4, CAS 1292904-74-5
8-Hydroxy moxifloxacin hydrobromide
CAS 1292904-74-5C20H23BrFN3O4
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid chemical structure, C20H22FN3O4, CAS 721970-36-1
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid
CAS 721970-36-1C20H22FN3O4