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Murcko scaffold

Ring system with 3 rings and 13 atoms

12 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
13
Chemicals
12
With full pages
4
Scaffold SMILES

C1CCN2CC3CNCC(C3)C2C1

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 C1CCN2CC3CNCC(C3)C2C1

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 12 of 12 chemicals

(+)-Spartein surrogate chemical structure, C12H22N2, CAS 475301-86-1
(+)-Spartein surrogate
CAS 475301-86-1C12H22N2
rel-(1R,5S,11aS)-Decahydro-3-methyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine chemical structure, C12H22N2, CAS 161513-67-3
rel-(1R,5S,11aS)-Decahydro-3-methyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine
CAS 161513-67-3C12H22N2
(1R,2S,9S)-(+)-11-Methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane chemical structure, C12H22N2
(1R,2S,9S)-(+)-11-Methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
C12H22N2
4-[(1S,4R,5S,11aS)-Decahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-4-yl]butanoic acid chemical structure, C15H26N2O2, CAS 531-49-7
4-[(1S,4R,5S,11aS)-Decahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-4-yl]butanoic acid
CAS 531-49-7C15H26N2O2
Decahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-ol chemical structure, C11H20N2O, CAS 63008-60-6
Decahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-ol
CAS 63008-60-6C11H20N2O
(1R,11aalpha)-1alpha,5alpha-Methanodecahydro-2H-pyrido[1,2-a][1,5]diazocine chemical structure, C11H20N2, CAS 2935-34-4
(1R,11aalpha)-1alpha,5alpha-Methanodecahydro-2H-pyrido[1,2-a][1,5]diazocine
CAS 2935-34-4C11H20N2
(1R,9S)-11-Methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane chemical structure, C12H22N2
(1R,9S)-11-Methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
C12H22N2
(1R,2S,9S)-7,11-Diazatricyclo[7.3.1.0~2,7~]tridecane dihydrochloride chemical structure, C11H22Cl2N2, CAS 2121-08-6
(1R,2S,9S)-7,11-Diazatricyclo[7.3.1.0~2,7~]tridecane dihydrochloride
CAS 2121-08-6C11H22Cl2N2
(1S,4S,5S,11aR)-4-(3-Buten-1-yl)decahydro-3-methyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine chemical structure, C16H28N2, CAS 21030-58-0
(1S,4S,5S,11aR)-4-(3-Buten-1-yl)decahydro-3-methyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine
CAS 21030-58-0C16H28N2
(1S,5S)-Decahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine chemical structure, C11H20N2, CAS 878192-55-3
(1S,5S)-Decahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine
CAS 878192-55-3C11H20N2
Cytisine-2,2-d2, deoxytetrahydro- chemical structure, C11H20N2, CAS 94845-24-6
Cytisine-2,2-d2, deoxytetrahydro-
CAS 94845-24-6C11H20N2
(1S,2S,9S)-7,11-Diazatricyclo[7.3.1.0(2),]tridecane dihydrochloride chemical structure, C11H22Cl2N2, CAS 3029247-71-7
(1S,2S,9S)-7,11-Diazatricyclo[7.3.1.0(2),]tridecane dihydrochloride
CAS 3029247-71-7C11H22Cl2N2