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Murcko scaffold

Ring system with 3 rings and 40 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
40
Chemicals
6
With full pages
2
Scaffold SMILES

O=C(C=CC(=O)OC1CCOC(CCCC2CC=CC=CCCCCC=CC=CC(=O)O2)C1)NC1=CCCC1=O

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=C(C=CC(=O)OC1CCOC(CCCC2CC=CC=CCCCCC=CC=CC(=O)O2)C1)NC1=CCCC1=O

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 6 of 6 chemicals

Setamycin chemical structure, C44H65NO13, CAS 80112-34-1
Setamycin
CAS 80112-34-1C44H65NO13
Bafilomycin B1 chemical structure, C44H65NO13, CAS 88899-56-3
Bafilomycin B1
CAS 88899-56-3C44H65NO13
Bafilomycin B2 chemical structure, C45H67NO13, CAS 88907-48-6
Bafilomycin B2
CAS 88907-48-6C45H67NO13
[(2R,4R,5R,6R)-2-[(2S,3R,4S)-3-Hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate chemical structure, C45H67NO13
[(2R,4R,5R,6R)-2-[(2S,3R,4S)-3-Hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
C45H67NO13
RefChem:930524 chemical structure, C47H67NO13, CAS 646066-94-6
RefChem:930524
CAS 646066-94-6C47H67NO13
Bafilomycin B2 chemical structure, C45H67NO13
Bafilomycin B2
C45H67NO13