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Murcko scaffold

Ring system with 4 rings and 25 atoms

4 chemicals on CompoundList share this ring system.

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

O=C(Cn1ccc2ccccc2c1=O)NCc1ccc2c(c1)OCO2

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(Cn1ccc2ccccc2c1=O)NCc1ccc2c(c1)OCO2

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

N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide chemical structure, C20H18N2O5, CAS 868223-69-2
N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
CAS 868223-69-2C20H18N2O5
Ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate chemical structure, C23H22N2O7, CAS 868224-24-2
Ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CAS 868224-24-2C23H22N2O7
Methyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate chemical structure, C22H20N2O7, CAS 868225-27-8
Methyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CAS 868225-27-8C22H20N2O7
Ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate chemical structure, C24H24N2O7, CAS 868224-75-3
Ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
CAS 868224-75-3C24H24N2O7