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Murcko scaffold

Ring system with 2 rings and 17 atoms

5 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
17
Chemicals
5
With full pages
4
Scaffold SMILES

O=C1CCCC=C1C=NCCN1CCNCC1

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=C1CCCC=C1C=NCCN1CCNCC1

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

5,5-Dimethyl-2-{1-[(2-piperazin-1-ylethyl)amino]ethylidene}cyclohexane-1,3-dione chemical structure, C16H27N3O2, CAS 329218-79-3
5,5-Dimethyl-2-{1-[(2-piperazin-1-ylethyl)amino]ethylidene}cyclohexane-1,3-dione
CAS 329218-79-3C16H27N3O2
4-(2-{[(4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-N-ethylpiperazine-1-carbothioamide chemical structure, C18H30N4O2S, CAS 351163-61-6
4-(2-{[(4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-N-ethylpiperazine-1-carbothioamide
CAS 351163-61-6C18H30N4O2S
5,5-Dimethyl-2-[(2-piperazin-1-yl-ethylamino)-methylene]-cyclohexane-1,3-dione chemical structure, C15H25N3O2, CAS 299443-43-9
5,5-Dimethyl-2-[(2-piperazin-1-yl-ethylamino)-methylene]-cyclohexane-1,3-dione
CAS 299443-43-9C15H25N3O2
2-[({2-[4-(Chloroacetyl)piperazin-1-yl]ethyl}amino)methylidene]-5,5-dimethylcyclohexane-1,3-dione chemical structure, C17H26ClN3O3, CAS 516455-68-8
2-[({2-[4-(Chloroacetyl)piperazin-1-yl]ethyl}amino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
CAS 516455-68-8C17H26ClN3O3
1-Boc-4-[2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]ethyl]piperazine chemical structure, C21H35N3O4, CAS 1258652-71-9
1-Boc-4-[2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]ethyl]piperazine
CAS 1258652-71-9C21H35N3O4