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Murcko scaffold

Ring system with 3 rings and 16 atoms

3 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
3
With full pages
1
Scaffold SMILES

O=C1CCc2ccccc2C2CCCCN12

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=C1CCc2ccccc2C2CCCCN12

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 3 of 3 chemicals

Ilepatril chemical structure, C22H28N2O5S, CAS 473289-62-2
Ilepatril
CAS 473289-62-2C22H28N2O5S
Pyrido[2,1-a][2]benzazepine-4-carboxylic acid, 7-amino-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, [4S-(4I+/-,7I+/-,12bI(2))]- chemical structure, C15H18N2O3, CAS 150379-92-3
Pyrido[2,1-a][2]benzazepine-4-carboxylic acid, 7-amino-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, [4S-(4I+/-,7I+/-,12bI(2))]-
CAS 150379-92-3C15H18N2O3
Pyrido(2,1-a)(2)benzazepine-4-carboxylic acid, 7-(((2S)-2-(acetylthio)-1-oxobutyl)amino)-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, (4S,7S,12bR)- chemical structure, C21H26N2O5S, CAS 669764-02-7
Pyrido(2,1-a)(2)benzazepine-4-carboxylic acid, 7-(((2S)-2-(acetylthio)-1-oxobutyl)amino)-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, (4S,7S,12bR)-
CAS 669764-02-7C21H26N2O5S