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Murcko scaffold

Ring system with 3 rings and 19 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
6
With full pages
1
Scaffold SMILES

O=c1[nH]c2ncncc2nc1CNc1ccccc1

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=c1[nH]c2ncncc2nc1CNc1ccccc1

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 6 of 6 chemicals

7-Hydroxymethotrexate chemical structure, C20H22N8O6, CAS 5939-37-7
7-Hydroxymethotrexate
CAS 5939-37-7C20H22N8O6
7-Hydroxydichloromethotrexate chemical structure, C20H20Cl2N8O6, CAS 751-75-7
7-Hydroxydichloromethotrexate
CAS 751-75-7C20H20Cl2N8O6
7-Hydroxy methotrexate-d3 chemical structure, C20H22N8O6, CAS 432545-62-5
7-Hydroxy methotrexate-d3
CAS 432545-62-5C20H22N8O6
7-Hydroxy DAMPA chemical structure, C15H15N7O3, CAS 34698-85-6
7-Hydroxy DAMPA
CAS 34698-85-6C15H15N7O3
7-Hydroxy aminopterin chemical structure, C19H20N8O6, CAS 97772-99-1
7-Hydroxy aminopterin
CAS 97772-99-1C19H20N8O6
Methyl 4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoate chemical structure, C16H17N7O3, CAS 1330264-75-9
Methyl 4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoate
CAS 1330264-75-9C16H17N7O3