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Murcko scaffold

Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester scaffold

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
4
With full pages
2
Scaffold SMILES

O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)(=O)c1ccccc1

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 scaffoldOpen the Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester page
Murcko scaffold O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)(=O)c1ccccc1

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 4 of 4 chemicals

1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate chemical structure, C19H12FNO5S, CAS 865613-48-5
1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate
CAS 865613-48-5C19H12FNO5S
2-{[(4-Methylphenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione chemical structure, C19H13NO5S, CAS 5551-72-4
2-{[(4-Methylphenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione
CAS 5551-72-4C19H13NO5S
2-{[(4-Chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione chemical structure, C18H10ClNO5S, CAS 82649-28-3
2-{[(4-Chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione
CAS 82649-28-3C18H10ClNO5S
Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester chemical structure, C18H11NO5S, CAS 23928-87-2
Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester
CAS 23928-87-2C18H11NO5S