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Murcko scaffold

Ring system with 4 rings and 26 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
5
With full pages
1
Scaffold SMILES

O=C(Nc1ccc(C2CCOCC2)nc1C1=CCCCC1)c1ncc[nH]1

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(Nc1ccc(C2CCOCC2)nc1C1=CCCCC1)c1ncc[nH]1

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

Edicotinib hydrochloride chemical structure, C27H36ClN5O2, CAS 1559069-92-9
Edicotinib hydrochloride
CAS 1559069-92-9C27H36ClN5O2
Edicotinib chemical structure, C27H35N5O2, CAS 1142363-52-7
Edicotinib
CAS 1142363-52-7C27H35N5O2
4-Cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyltetrahydropyran-4-yl)-3-pyridyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide chemical structure, C33H49N5O3Si, CAS 1142363-66-3
4-Cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyltetrahydropyran-4-yl)-3-pyridyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CAS 1142363-66-3C33H49N5O3Si
Zze7Y6QA4R chemical structure, C27H35N5O3, CAS 1628418-26-7
Zze7Y6QA4R
CAS 1628418-26-7C27H35N5O3
JNJ-40346527 metabolite M2 chemical structure, C27H33N5O4, CAS 1628418-36-9
JNJ-40346527 metabolite M2
CAS 1628418-36-9C27H33N5O4