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Murcko scaffold

Ring system with 5 rings and 42 atoms

10 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
42
Chemicals
10
With full pages
1
Scaffold SMILES

O=C(CNC(=O)C1C2CCCC2CN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)NC1CC1

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(CNC(=O)C1C2CCCC2CN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)NC1CC1

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 10 of 10 chemicals

Telaprevir chemical structure, C36H53N7O6, CAS 402957-28-2
Telaprevir
CAS 402957-28-2C36H53N7O6
VX-950, Telaprevir chemical structure, C36H53N7O6, CAS 569364-34-7
VX-950, Telaprevir
CAS 569364-34-7C36H53N7O6
Telaprevir, (R)- chemical structure, C36H53N7O6, CAS 923270-50-2
Telaprevir, (R)-
CAS 923270-50-2C36H53N7O6
(1S,3aR,6aS)-2-((R)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide chemical structure, C36H53N7O6, CAS 1616728-75-6
(1S,3aR,6aS)-2-((R)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
CAS 1616728-75-6C36H53N7O6
(1S,3aR,6aS)-2-((S)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide chemical structure, C36H53N7O6, CAS 1612842-73-5
(1S,3aR,6aS)-2-((S)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
CAS 1612842-73-5C36H53N7O6
(1S,3aR,6aS)-2-((R)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide chemical structure, C36H53N7O6, CAS 2803376-73-8
(1S,3aR,6aS)-2-((R)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
CAS 2803376-73-8C36H53N7O6
(1S,3aR,6aS)-2-((S)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide chemical structure, C36H53N7O6, CAS 2803419-62-5
(1S,3aR,6aS)-2-((S)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
CAS 2803419-62-5C36H53N7O6
(1R,3aS,6aR)-2-((R)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide chemical structure, C36H53N7O6, CAS 2803420-44-0
(1R,3aS,6aR)-2-((R)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
CAS 2803420-44-0C36H53N7O6
(1S,3aR,6aS)-2-((R)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide chemical structure, C36H53N7O6, CAS 2803376-22-7
(1S,3aR,6aS)-2-((R)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
CAS 2803376-22-7C36H53N7O6
(1S,3aR,6aS)-2-((R)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide chemical structure, C36H53N7O6, CAS 1358070-37-7
(1S,3aR,6aS)-2-((R)-2-((R)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
CAS 1358070-37-7C36H53N7O6