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Murcko scaffold

Ring system with 4 rings and 25 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
6
With full pages
0
Scaffold SMILES

O=C1C2Cc3ccccc3CN2C(=O)CN1CCCc1ccccc1

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=C1C2Cc3ccccc3CN2C(=O)CN1CCCc1ccccc1

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

PD 109488 chemical structure, C25H28N2O4, CAS 103733-49-9
PD 109488
CAS 103733-49-9C25H28N2O4
PD 113413 chemical structure, C23H24N2O4, CAS 103733-50-2
PD 113413
CAS 103733-50-2C23H24N2O4
PD-114009 chemical structure, C27H32N2O6, CAS 103733-51-3
PD-114009
CAS 103733-51-3C27H32N2O6
Diketopiperazine moexiprilat chemical structure, C25H28N2O6, CAS 112468-23-2
Diketopiperazine moexiprilat
CAS 112468-23-2C25H28N2O6
Moexipril diketopiperazine chemical structure, C27H32N2O6
Moexipril diketopiperazine
C27H32N2O6
Ethyl (2R)-2-[(3S,11aR)-8,9-dimethoxy-3-methyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoate chemical structure, C27H32N2O6
Ethyl (2R)-2-[(3S,11aR)-8,9-dimethoxy-3-methyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoate
C27H32N2O6