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Murcko scaffold

Ring system with 5 rings and 21 atoms

23 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 21
Chemicals: 23
With full pages: 4

Scaffold SMILES

O=c1ccn(C2CC2)c2cc(N3CCC4(CC4)C3)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(N3CCC4(CC4)C3)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 23 of 23 chemicals

Sitafloxacin chemical structure, C19H18ClF2N3O3, CAS 127254-12-0

CAS 127254-12-0C₁₉H₁₈ClF₂N₃O₃

Olamufloxacin chemical structure, C20H23FN4O3, CAS 167887-97-0

CAS 167887-97-0C₂₀H₂₃FN₄O₃

7-[(7S)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid chemical structure, C19H18ClF2N3O3, CAS 167073-16-7

7-[(7S)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid

CAS 167073-16-7C₁₉H₁₈ClF₂N₃O₃

DK-507k chemical structure, C20H21F2N3O4, CAS 364069-14-7

CAS 364069-14-7C₂₀H₂₁F₂N₃O₄

7-((S)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2R)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chemical structure, C19H18ClF2N3O3, CAS 2306259-38-9

7-((S)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2R)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS 2306259-38-9C₁₉H₁₈ClF₂N₃O₃

Sitafloxacin monohydrate chemical structure, C19H20ClF2N3O4, CAS 163253-37-0

Sitafloxacin monohydrate

CAS 163253-37-0C₁₉H₂₀ClF₂N₃O₄

7-[(7r)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1s,2r)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid chemical structure, C19H18ClF2N3O3, CAS 127199-06-8

7-[(7r)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1s,2r)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

CAS 127199-06-8C₁₉H₁₈ClF₂N₃O₃

7-((R)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chemical structure, C19H18ClF2N3O3, CAS 127254-10-8

7-((R)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS 127254-10-8C₁₉H₁₈ClF₂N₃O₃

Olamufloxacin mesilate chemical structure, C21H27FN4O6S, CAS 167888-07-5

Olamufloxacin mesilate

CAS 167888-07-5C₂₁H₂₇FN₄O₆S

7-[(7s)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1s,2r)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid chemical structure, C19H18ClF2N3O3, CAS 127254-11-9

7-[(7s)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1s,2r)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

CAS 127254-11-9C₁₉H₁₈ClF₂N₃O₃

DK-507K hydrochloride monohydrate chemical structure, C20H24ClF2N3O5, CAS 364069-13-6

DK-507K hydrochloride monohydrate

CAS 364069-13-6C₂₀H₂₄ClF₂N₃O₅

Sitafloxacin dechloro impurity chemical structure, C19H19F2N3O3, CAS 500569-52-8

Sitafloxacin dechloro impurity

CAS 500569-52-8C₁₉H₁₉F₂N₃O₃

7-((R)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-(rel-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chemical structure, C19H18ClF2N3O3, CAS 1392212-99-5

7-((R)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-(rel-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS 1392212-99-5C₁₉H₁₈ClF₂N₃O₃

7-((S)-7-((tert-Butoxycarbonyl)amino)-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chemical structure, C24H26ClF2N3O5, CAS 147782-16-9

7-((S)-7-((tert-Butoxycarbonyl)amino)-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS 147782-16-9C₂₄H₂₆ClF₂N₃O₅

5-Amino-7-((S)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]hept-5-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid chemical structure, C25H31FN4O5, CAS 167888-06-4

5-Amino-7-((S)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]hept-5-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid

CAS 167888-06-4C₂₅H₃₁FN₄O₅

7-((7S)-7-Amino-7-methyl-5-azaspiro(2.4)heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid chemical structure, C21H23F2N3O4, CAS 915302-91-9

7-((7S)-7-Amino-7-methyl-5-azaspiro(2.4)heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

CAS 915302-91-9C₂₁H₂₃F₂N₃O₄

Orb2945778 chemical structure, C42H48F4N6O9, CAS 931411-93-7

CAS 931411-93-7C₄₂H₄₈F₄N₆O₉

Sinafloxacin mesylate chemical structure, C21H26FN3O7S, CAS 2512210-64-7

Sinafloxacin mesylate

CAS 2512210-64-7C₂₁H₂₆FN₃O₇S

3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro[2.4]hept-5-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo- chemical structure, C20H22FN3O4, CAS 156215-70-2

3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro[2.4]hept-5-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-

CAS 156215-70-2C₂₀H₂₂FN₃O₄

8-Chloro-6-fluoro-1-(2-fluorocyclopropyl)-7-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid chemical structure, C24H26ClF2N3O5

8-Chloro-6-fluoro-1-(2-fluorocyclopropyl)-7-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid

C₂₄H₂₆ClF₂N₃O₅

Sitafloxacin (hydrochloride) chemical structure, C19H19Cl2F2N3O3, CAS 346607-37-2

Sitafloxacin (hydrochloride)

CAS 346607-37-2C₁₉H₁₉Cl₂F₂N₃O₃

7-((S)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride chemical structure, C19H20ClF2N3O3, CAS 147714-76-9

7-((S)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride

CAS 147714-76-9C₁₉H₂₀ClF₂N₃O₃

7-[(7S)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]quinolin-4-one chemical structure, C18H18ClF2N3O, CAS 2412444-06-3

7-[(7S)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]quinolin-4-one

CAS 2412444-06-3C₁₈H₁₈ClF₂N₃O