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Murcko scaffold

Ring system with 3 rings and 30 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
30
Chemicals
7
With full pages
2
Scaffold SMILES

O=C1CNC(=O)C2CCCN2C(=O)CNC(=O)CC(c2ccccc2)NC(=O)CN1

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=C1CNC(=O)C2CCCN2C(=O)CNC(=O)CC(c2ccccc2)NC(=O)CN1

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 7 of 7 chemicals

Astin B chemical structure, C25H33Cl2N5O7, CAS 151201-76-2
Astin B
CAS 151201-76-2C25H33Cl2N5O7
Astin C chemical structure, C25H33Cl2N5O6, CAS 148057-23-2
Astin C
CAS 148057-23-2C25H33Cl2N5O6
Cyclochlorotine chemical structure, C24H31Cl2N5O7, CAS 12663-46-6
Cyclochlorotine
CAS 12663-46-6C24H31Cl2N5O7
Astin I chemical structure, C25H34ClN5O7, CAS 161162-22-7
Astin I
CAS 161162-22-7C25H34ClN5O7
(3R,10R,13R,16S,17R,18S)-17,18-Dichloro-3,13-diethyl-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone chemical structure, C25H33Cl2N5O6
(3R,10R,13R,16S,17R,18S)-17,18-Dichloro-3,13-diethyl-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
C25H33Cl2N5O6
(3S,7R,10S,13R,16R,17S,18R)-17,18-Dichloro-3,13-diethyl-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone chemical structure, C25H33Cl2N5O6
(3S,7R,10S,13R,16R,17S,18R)-17,18-Dichloro-3,13-diethyl-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
C25H33Cl2N5O6
(3S,10S,13S,16R,17S,18R)-17,18-Dichloro-3,13-diethyl-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone chemical structure, C25H33Cl2N5O6
(3S,10S,13S,16R,17S,18R)-17,18-Dichloro-3,13-diethyl-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
C25H33Cl2N5O6