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Murcko scaffold

Ring system with 3 rings and 23 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
8
With full pages
7
Scaffold SMILES

O=C(Cn1ccc2ccccc2c1=O)NCCc1ccccc1

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)NCCc1ccccc1

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 8 of 8 chemicals

2-(5-Methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide chemical structure, C20H20N2O3, CAS 868223-71-6
2-(5-Methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide
CAS 868223-71-6C20H20N2O3
N-(3,4-Dimethoxyphenethyl)-2-(5-methoxy-1-oxoisoquinolin-2(1H)-yl)acetamide chemical structure, C22H24N2O5, CAS 868223-72-7
N-(3,4-Dimethoxyphenethyl)-2-(5-methoxy-1-oxoisoquinolin-2(1H)-yl)acetamide
CAS 868223-72-7C22H24N2O5
Ethyl 2-((1-oxo-2-(2-oxo-2-(phenethylamino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate chemical structure, C23H24N2O5, CAS 868224-25-3
Ethyl 2-((1-oxo-2-(2-oxo-2-(phenethylamino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate
CAS 868224-25-3C23H24N2O5
Methyl 2-((1-oxo-2-(2-oxo-2-(phenethylamino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate chemical structure, C22H22N2O5, CAS 868225-28-9
Methyl 2-((1-oxo-2-(2-oxo-2-(phenethylamino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate
CAS 868225-28-9C22H22N2O5
Methyl 2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate chemical structure, C24H26N2O7, CAS 868225-29-0
Methyl 2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CAS 868225-29-0C24H26N2O7
Ethyl 2-[(1-oxo-2-{[(2-phenylethyl)carbamoyl]methyl}-1,2-dihydroisoquinolin-5-yl)oxy]propanoate chemical structure, C24H26N2O5, CAS 868224-77-5
Ethyl 2-[(1-oxo-2-{[(2-phenylethyl)carbamoyl]methyl}-1,2-dihydroisoquinolin-5-yl)oxy]propanoate
CAS 868224-77-5C24H26N2O5
Ethyl 2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate chemical structure, C26H30N2O7, CAS 868224-78-6
Ethyl 2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
CAS 868224-78-6C26H30N2O7
Ethyl 2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate chemical structure, C25H28N2O7, CAS 868224-26-4
Ethyl 2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CAS 868224-26-4C25H28N2O7