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Murcko scaffold

Ring system with 4 rings and 25 atoms

3 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
3
With full pages
3
Scaffold SMILES

O=C1c2cccc3cccc(c23)C(=O)N1CCCCCc1nnco1

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=C1c2cccc3cccc(c23)C(=O)N1CCCCCc1nnco1

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 3 of 3 chemicals

2-(5-(5-(Allylthio)-1,3,4-oxadiazol-2-yl)pentyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione chemical structure, C22H21N3O3S, CAS 496028-80-9
2-(5-(5-(Allylthio)-1,3,4-oxadiazol-2-yl)pentyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CAS 496028-80-9C22H21N3O3S
Ethyl ({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate chemical structure, C23H23N3O5S, CAS 488709-31-5
Ethyl ({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
CAS 488709-31-5C23H23N3O5S
Ethyl 4-[[5-[5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate chemical structure, C25H27N3O5S, CAS 611172-97-5
Ethyl 4-[[5-[5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate
CAS 611172-97-5C25H27N3O5S