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Murcko scaffold

Ring system with 5 rings and 25 atoms

10 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
25
Chemicals
10
With full pages
1
Scaffold SMILES

C1=C(CC2NCCc3ccccc32)CC2c3ccccc3CCN2C1

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 C1=C(CC2NCCc3ccccc32)CC2c3ccccc3CCN2C1

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

Dehydroemetine chemical structure, C29H38N2O4, CAS 4914-30-1
Dehydroemetine
CAS 4914-30-1C29H38N2O4
(±)-Dehydroemetine hydrochloride chemical structure, C29H39ClN2O4, CAS 3317-75-7
(±)-Dehydroemetine hydrochloride
CAS 3317-75-7C29H39ClN2O4
(±)-Dehydroisoemetine chemical structure, C29H38N2O4, CAS 2649-50-5
(±)-Dehydroisoemetine
CAS 2649-50-5C29H38N2O4
(11bS)-3-Ethyl-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine chemical structure, C27H34N2O2, CAS 75041-32-6
(11bS)-3-Ethyl-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
CAS 75041-32-6C27H34N2O2
Dehydroemetine (±)-form dihydrochloride chemical structure, C29H40Cl2N2O4, CAS 14358-43-1
Dehydroemetine (±)-form dihydrochloride
CAS 14358-43-1C29H40Cl2N2O4
Dehydroisoemetine dihydrobromide chemical structure, C29H40Br2N2O4, CAS 30461-73-5
Dehydroisoemetine dihydrobromide
CAS 30461-73-5C29H40Br2N2O4
Dehydroisoemetine dihydrochloride chemical structure, C29H40Cl2N2O4, CAS 112001-55-5
Dehydroisoemetine dihydrochloride
CAS 112001-55-5C29H40Cl2N2O4
(+)-Dehydroemetine chemical structure, C29H38N2O4, CAS 68831-62-9
(+)-Dehydroemetine
CAS 68831-62-9C29H38N2O4
Dehydroemetine dihydrobromide chemical structure, C29H40Br2N2O4, CAS 30461-71-3
Dehydroemetine dihydrobromide
CAS 30461-71-3C29H40Br2N2O4
(11bR)-2-[(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine chemical structure, C29H38N2O4
(11bR)-2-[(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
C29H38N2O4