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Murcko scaffold

AJ-190/13485012 scaffold

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
5
With full pages
1
Scaffold SMILES

c1ccc(CCN2CCC3(CC2)OCCO3)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 scaffoldOpen the AJ-190/13485012 page
Murcko scaffold c1ccc(CCN2CCC3(CC2)OCCO3)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

AJ-190/13485012 chemical structure, C15H21NO2, CAS 16771-89-4
AJ-190/13485012
CAS 16771-89-4C15H21NO2
1,4-Dioxa-8-azaspiro[4.5]decane, 8-[2-(4-bromophenyl)ethyl]- chemical structure, C15H20BrNO2, CAS 809237-03-4
1,4-Dioxa-8-azaspiro[4.5]decane, 8-[2-(4-bromophenyl)ethyl]-
CAS 809237-03-4C15H20BrNO2
Benzonitrile, 3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethyl]- chemical structure, C16H20N2O2, CAS 849519-46-6
Benzonitrile, 3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethyl]-
CAS 849519-46-6C16H20N2O2
4-[2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]aniline chemical structure, C15H22N2O2, CAS 136081-41-9
4-[2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]aniline
CAS 136081-41-9C15H22N2O2
8-[2-(4-Nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane chemical structure, C15H20N2O4, CAS 136080-82-5
8-[2-(4-Nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CAS 136080-82-5C15H20N2O4