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Murcko scaffold

Ring system with 5 rings and 33 atoms

4 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
33
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1C(CCCc2ccccc2)C(c2ccc(OC3CCCCO3)cc2)N1c1ccccc1

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=C1C(CCCc2ccccc2)C(c2ccc(OC3CCCCO3)cc2)N1c1ccccc1

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 4 of 4 chemicals

3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester chemical structure, C39H39F2NO13, CAS 190448-56-7
3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester
CAS 190448-56-7C39H39F2NO13
Ezetimibe glucuronide chemical structure, C30H29F2NO9, CAS 190448-57-8
Ezetimibe glucuronide
CAS 190448-57-8C30H29F2NO9
(3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(I(2)-D-glucopyranosyloxy)phenyl]-2-azetidinone chemical structure, C30H31F2NO8, CAS 190448-60-3
(3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(I(2)-D-glucopyranosyloxy)phenyl]-2-azetidinone
CAS 190448-60-3C30H31F2NO8
Ezetimibe phenoxy glucuronide-D4 chemical structure, C30H29F2NO9, CAS 1426174-41-5
Ezetimibe phenoxy glucuronide-D4
CAS 1426174-41-5C30H29F2NO9