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Murcko scaffold

Ring system with 4 rings and 21 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
5
With full pages
1
Scaffold SMILES

c1ccc(-c2c[nH]c3ncnc(N4CCCCC4)c23)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(-c2c[nH]c3ncnc(N4CCCCC4)c23)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

1-(5-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol chemical structure, C17H18N4O, CAS 2650716-43-9
1-(5-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CAS 2650716-43-9C17H18N4O
N-[1-[5-(3-Chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinyl]acetamide chemical structure, C19H20ClN5O, CAS 2869148-13-8
N-[1-[5-(3-Chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinyl]acetamide
CAS 2869148-13-8C19H20ClN5O
Hpk1-IN-33 chemical structure, C18H16ClFN6, CAS 2920000-86-6
Hpk1-IN-33
CAS 2920000-86-6C18H16ClFN6
N-(1-(5-(3-Chlorophenyl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)acetamide chemical structure, C25H34ClN5O2Si, CAS 2921736-90-3
N-(1-(5-(3-Chlorophenyl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)acetamide
CAS 2921736-90-3C25H34ClN5O2Si
JAK3 covalent inhibitor-2 chemical structure, C20H20N6O3, CAS 2664050-97-7
JAK3 covalent inhibitor-2
CAS 2664050-97-7C20H20N6O3