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Murcko scaffold

Ring system with 5 rings and 29 atoms

3 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
3
With full pages
3
Scaffold SMILES

O=C(c1ccccc1)c1ccc2cc(-c3ccc(-c4ccccc4)cc3)ncn12

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(c1ccccc1)c1ccc2cc(-c3ccc(-c4ccccc4)cc3)ncn12

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 3 of 3 chemicals

ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate chemical structure, C29H21N3O5, CAS 302913-09-3
ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
CAS 302913-09-3C29H21N3O5
ET 3-(1,1'-Biphenyl)-4-YL-7-(4-BR-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate chemical structure, C29H21BrN2O3, CAS 302913-05-9
ET 3-(1,1'-Biphenyl)-4-YL-7-(4-BR-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
CAS 302913-05-9C29H21BrN2O3
ET 3-(1,1'-Biphenyl)-4-YL-7-(4-CL-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate chemical structure, C29H21ClN2O3, CAS 302913-02-6
ET 3-(1,1'-Biphenyl)-4-YL-7-(4-CL-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
CAS 302913-02-6C29H21ClN2O3