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Murcko scaffold

Ring system with 3 rings and 24 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
5
With full pages
1
Scaffold SMILES

O=C(COc1ccccc1)OCCn1cnc2[nH]c(=O)[nH]c(=O)c21

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(COc1ccccc1)OCCn1cnc2[nH]c(=O)[nH]c(=O)c21

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

Theofibrate chemical structure, C19H21ClN4O5, CAS 54504-70-0
Theofibrate
CAS 54504-70-0C19H21ClN4O5
Acetic acid, (4-chlorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester chemical structure, C17H17ClN4O5, CAS 54504-74-4
Acetic acid, (4-chlorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
CAS 54504-74-4C17H17ClN4O5
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate chemical structure, C18H19ClN4O5, CAS 54504-75-5
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate
CAS 54504-75-5C18H19ClN4O5
Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester chemical structure, C19H19F3N4O5, CAS 54504-77-7
Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
CAS 54504-77-7C19H19F3N4O5
Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester chemical structure, C17H17FN4O5, CAS 54504-79-9
Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
CAS 54504-79-9C17H17FN4O5