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Murcko scaffold

Ring system with 3 rings and 21 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
5
With full pages
3
Scaffold SMILES

S=C(NCc1ccco1)N1CCN(c2ccccc2)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 S=C(NCc1ccco1)N1CCN(c2ccccc2)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

4-(5-Chloro-2-methylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide chemical structure, C17H20ClN3OS, CAS 701968-70-9
4-(5-Chloro-2-methylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CAS 701968-70-9C17H20ClN3OS
4-(3-Chlorophenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide chemical structure, C16H18ClN3OS, CAS 708287-86-9
4-(3-Chlorophenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CAS 708287-86-9C16H18ClN3OS
4-(4-Acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide chemical structure, C18H21N3O2S, CAS 706775-22-6
4-(4-Acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CAS 706775-22-6C18H21N3O2S
N-(Furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide chemical structure, C16H18N4O3S, CAS 708232-52-4
N-(Furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
CAS 708232-52-4C16H18N4O3S
Methyl 4-(4-{[(2-furylmethyl)amino]carbothioyl}piperazino)-3-nitrobenzenecarboxylate chemical structure, C18H20N4O5S, CAS 882747-90-2
Methyl 4-(4-{[(2-furylmethyl)amino]carbothioyl}piperazino)-3-nitrobenzenecarboxylate
CAS 882747-90-2C18H20N4O5S