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Murcko scaffold

Ring system with 3 rings and 20 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
5
With full pages
3
Scaffold SMILES

c1ccc(CNc2ccc(-c3cncnc3)cc2)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(CNc2ccc(-c3cncnc3)cc2)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

Methylbenzoprim chemical structure, C20H22N6O2, CAS 118344-71-1
Methylbenzoprim
CAS 118344-71-1C20H22N6O2
Ethylbenzoprim chemical structure, C21H24N6O2, CAS 118344-72-2
Ethylbenzoprim
CAS 118344-72-2C21H24N6O2
2,4-Pyrimidinediamine, 5-(3-amino-4-(methyl(phenylmethyl)amino)phenyl)-6-ethyl- chemical structure, C20H24N6, CAS 123240-43-7
2,4-Pyrimidinediamine, 5-(3-amino-4-(methyl(phenylmethyl)amino)phenyl)-6-ethyl-
CAS 123240-43-7C20H24N6
5-(4-{[(2-Chlorophenyl)methyl]amino}phenyl)pyrimidine-2,4-diamine chemical structure, C17H16ClN5, CAS 71552-30-2
5-(4-{[(2-Chlorophenyl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CAS 71552-30-2C17H16ClN5
Methobenzaprim hydrochloride chemical structure, C20H23ClN6O2, CAS 147483-81-6
Methobenzaprim hydrochloride
CAS 147483-81-6C20H23ClN6O2