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Murcko scaffold

Ring system with 4 rings and 24 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
6
With full pages
1
Scaffold SMILES

O=C(Nc1cccc(-c2ccncn2)c1)c1ccc(C2CC2)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 O=C(Nc1cccc(-c2ccncn2)c1)c1ccc(C2CC2)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 6 of 6 chemicals

N-(3-(6-Amino-5-hydroxypyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide chemical structure, C21H18F2N4O2, CAS 1787294-76-1
N-(3-(6-Amino-5-hydroxypyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide
CAS 1787294-76-1C21H18F2N4O2
N-[3-[6-Amino-5-[2-(methylamino)ethoxy]-4-pyrimidinyl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide chemical structure, C24H25F2N5O2, CAS 1787294-53-4
N-[3-[6-Amino-5-[2-(methylamino)ethoxy]-4-pyrimidinyl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
CAS 1787294-53-4C24H25F2N5O2
Remibrutinib chemical structure, C27H27F2N5O3, CAS 1787294-07-8
Remibrutinib
CAS 1787294-07-8C27H27F2N5O3
N-[3-(6-amino-4-pyrimidinyl)-5-fluoro-2-methylphenyl]-4-cyclopropylBenzamide chemical structure, C21H19FN4O, CAS 2414143-31-8
N-[3-(6-amino-4-pyrimidinyl)-5-fluoro-2-methylphenyl]-4-cyclopropylBenzamide
CAS 2414143-31-8C21H19FN4O
N-(3-(6-Amino-5-(2-(methylamino)ethoxy)pyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide hydrochloride chemical structure, C24H26ClF2N5O2, CAS 1787294-55-6
N-(3-(6-Amino-5-(2-(methylamino)ethoxy)pyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide hydrochloride
CAS 1787294-55-6C24H26ClF2N5O2
Remibrutinib impurity 7 chemical structure, C24H24F2N6O3, CAS 3103121-14-5
Remibrutinib impurity 7
CAS 3103121-14-5C24H24F2N6O3