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Murcko scaffold

Ring system with 4 rings and 24 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
5
With full pages
2
Scaffold SMILES

c1cnc(N2CCC(CNCc3c[nH]c4ccccc34)CC2)nc1

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 c1cnc(N2CCC(CNCc3c[nH]c4ccccc34)CC2)nc1

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

Quisinostat chemical structure, C21H26N6O2, CAS 875320-29-9
Quisinostat
CAS 875320-29-9C21H26N6O2
Quisinostat hydrochloride chemical structure, C21H27ClN6O2, CAS 1083078-98-1
Quisinostat hydrochloride
CAS 1083078-98-1C21H27ClN6O2
Ethyl 2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxylate chemical structure, C23H29N5O2, CAS 875318-39-1
Ethyl 2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxylate
CAS 875318-39-1C23H29N5O2
2-(4-((((1H-Indol-3-yl)methyl)amino)methyl)piperidin-1-yl)-N-hydroxypyrimidine-5-carboxamide chemical structure, C20H24N6O2, CAS 875320-60-8
2-(4-((((1H-Indol-3-yl)methyl)amino)methyl)piperidin-1-yl)-N-hydroxypyrimidine-5-carboxamide
CAS 875320-60-8C20H24N6O2
Quisinostat dihydrochloride chemical structure, C21H28Cl2N6O2, CAS 875320-31-3
Quisinostat dihydrochloride
CAS 875320-31-3C21H28Cl2N6O2