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Murcko scaffold

Ring system with 3 rings and 22 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
8
With full pages
2
Scaffold SMILES

O=C(NC1CCN(CC2CC=CCC2)CC1)c1ccccc1

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(NC1CCN(CC2CC=CCC2)CC1)c1ccccc1

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

Cinitapride chemical structure, C21H30N4O4, CAS 66564-14-5
Cinitapride
CAS 66564-14-5C21H30N4O4
Alepride chemical structure, C22H30ClN3O2, CAS 66564-15-6
Alepride
CAS 66564-15-6C22H30ClN3O2
Cinitapride hydrogen tartrate chemical structure, C25H34N4O8, CAS 67135-13-1
Cinitapride hydrogen tartrate
CAS 67135-13-1C25H34N4O8
Cinitapride tartrate chemical structure, C25H36N4O10, CAS 1207859-16-2
Cinitapride tartrate
CAS 1207859-16-2C25H36N4O10
4-Amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitrobenzamide chemical structure, C20H28N4O4, CAS 67134-94-5
4-Amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitrobenzamide
CAS 67134-94-5C20H28N4O4
4-Amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide, 2,3-dihydroxybutanedioic acid chemical structure, C25H36N4O10, CAS 96623-56-2
4-Amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide, 2,3-dihydroxybutanedioic acid
CAS 96623-56-2C25H36N4O10
4-Amino-N-[1-(cyclohex-3-en-1-ylmethyl)-1-oxidopiperidin-1-ium-4-yl]-2-ethoxy-5-nitrobenzamide chemical structure, C21H30N4O5, CAS 1361312-48-2
4-Amino-N-[1-(cyclohex-3-en-1-ylmethyl)-1-oxidopiperidin-1-ium-4-yl]-2-ethoxy-5-nitrobenzamide
CAS 1361312-48-2C21H30N4O5
Cinitapride impurity 29 chemical structure, C21H29N5O6, CAS 1884298-43-4
Cinitapride impurity 29
CAS 1884298-43-4C21H29N5O6