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Murcko scaffold

Ring system with 4 rings and 29 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
5
With full pages
3
Scaffold SMILES

O=C(COc1cnn(-c2ccccc2)c(=O)c1)N1CCN(c2ccccc2)CC1

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(COc1cnn(-c2ccccc2)c(=O)c1)N1CCN(c2ccccc2)CC1

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 5 of 5 chemicals

Ethyl 1-(2-chlorophenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1,6-dihydropyridazine-3-carboxylate chemical structure, C25H25ClN4O5, CAS 899943-26-1
Ethyl 1-(2-chlorophenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1,6-dihydropyridazine-3-carboxylate
CAS 899943-26-1C25H25ClN4O5
Ethyl 6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1-phenyl-1,6-dihydropyridazine-3-carboxylate chemical structure, C25H26N4O5, CAS 899943-24-9
Ethyl 6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1-phenyl-1,6-dihydropyridazine-3-carboxylate
CAS 899943-24-9C25H26N4O5
Ethyl 1-(2-methylphenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1,6-dihydropyridazine-3-carboxylate chemical structure, C26H28N4O5, CAS 899732-83-3
Ethyl 1-(2-methylphenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1,6-dihydropyridazine-3-carboxylate
CAS 899732-83-3C26H28N4O5
Ethyl 6-oxo-4-(2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy)-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate chemical structure, C26H28N4O5, CAS 899993-14-7
Ethyl 6-oxo-4-(2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy)-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate
CAS 899993-14-7C26H28N4O5
Ethyl 1-(4-fluorophenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1,6-dihydropyridazine-3-carboxylate chemical structure, C25H25FN4O5, CAS 899732-85-5
Ethyl 1-(4-fluorophenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1,6-dihydropyridazine-3-carboxylate
CAS 899732-85-5C25H25FN4O5