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Murcko scaffold

Ring system with 5 rings and 30 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
8
With full pages
5
Scaffold SMILES

c1ccc(CCc2nc3cc(-c4cnoc4)ccc3n2CCN2CCOCC2)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 scaffold
Murcko scaffold c1ccc(CCc2nc3cc(-c4cnoc4)ccc3n2CCN2CCOCC2)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 8 of 8 chemicals

Sgc-cbp30 chemical structure, C28H33ClN4O3, CAS 1613695-14-9
Sgc-cbp30
CAS 1613695-14-9C28H33ClN4O3
PF-CBP1 HCl chemical structure, C29H37ClN4O3, CAS 2070014-93-4
PF-CBP1 HCl
CAS 2070014-93-4C29H37ClN4O3
PF-Cbp1 chemical structure, C29H36N4O3, CAS 1962928-21-7
PF-Cbp1
CAS 1962928-21-7C29H36N4O3
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-[2-(4-Methoxyphenyl)ethyl]-1-[2-(Morpholin-4-Yl)ethyl]-1H-Benzimidazole chemical structure, C27H32N4O3, CAS 1613694-74-8
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-[2-(4-Methoxyphenyl)ethyl]-1-[2-(Morpholin-4-Yl)ethyl]-1H-Benzimidazole
CAS 1613694-74-8C27H32N4O3
Isox inact chemical structure, C29H36N4O3, CAS 1962928-29-5
Isox inact
CAS 1962928-29-5C29H36N4O3
3-(4-(2-(5-(3,5-Dimethyl-4-isoxazolyl)-1-(2-(4-morpholinyl)ethyl)-1H-benzimidazol-2-yl)ethyl)phenoxy)-N,N-dimethyl-1-propanamine chemical structure, C31H41N5O3, CAS 1962928-22-8
3-(4-(2-(5-(3,5-Dimethyl-4-isoxazolyl)-1-(2-(4-morpholinyl)ethyl)-1H-benzimidazol-2-yl)ethyl)phenoxy)-N,N-dimethyl-1-propanamine
CAS 1962928-22-8C31H41N5O3
4-(2-(5-(3,5-Dimethylisoxazol-4-yl)-2-(3-fluoro-4-(prop-2-yn-1-yloxy)phenethyl)-1H-benzo[d]imidazol-1-yl)ethyl)morpholine chemical structure, C29H31FN4O3, CAS 2278111-63-8
4-(2-(5-(3,5-Dimethylisoxazol-4-yl)-2-(3-fluoro-4-(prop-2-yn-1-yloxy)phenethyl)-1H-benzo[d]imidazol-1-yl)ethyl)morpholine
CAS 2278111-63-8C29H31FN4O3
Bi unit chemical structure, C28H35N5O3, CAS 2306467-24-1
Bi unit
CAS 2306467-24-1C28H35N5O3