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Murcko scaffold

Ring system with 4 rings and 31 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
31
Chemicals
5
With full pages
1
Scaffold SMILES

O=C(NCC(CCN1CCC(c2ccccc2)CC1)c1ccccc1)c1ccccc1

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(NCC(CCN1CCC(c2ccccc2)CC1)c1ccccc1)c1ccccc1

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

Saredutant chemical structure, C31H35Cl2N3O2, CAS 142001-63-6
Saredutant
CAS 142001-63-6C31H35Cl2N3O2
N-[4-(4-Acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide chemical structure, C31H35Cl2N3O2, CAS 159125-41-4
N-[4-(4-Acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CAS 159125-41-4C31H35Cl2N3O2
N-[(2R)-4-[4-(Acetylamino)-4-phenyl-1-piperidinyl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide chemical structure, C31H35Cl2N3O2, CAS 142001-64-7
N-[(2R)-4-[4-(Acetylamino)-4-phenyl-1-piperidinyl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CAS 142001-64-7C31H35Cl2N3O2
Saredutant succinate chemical structure, C35H41Cl2N3O6, CAS 176381-98-9
Saredutant succinate
CAS 176381-98-9C35H41Cl2N3O6
N-[(2S)-4-(4-Acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide, but-2-enedioic acid chemical structure, C35H39Cl2N3O6, CAS 176381-97-8
N-[(2S)-4-(4-Acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide, but-2-enedioic acid
CAS 176381-97-8C35H39Cl2N3O6