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Murcko scaffold

Ring system with 5 rings and 25 atoms

48 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
25
Chemicals
48
With full pages
12
Scaffold SMILES

c1ccc2c(c1)CCNC2CC1CCN2CCc3ccccc3C2C1

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 c1ccc2c(c1)CCNC2CC1CCN2CCc3ccccc3C2C1

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 48 of 48 chemicals

Desmethylemetine chemical structure, C28H38N2O4, CAS 10159-64-5
Desmethylemetine
CAS 10159-64-5C28H38N2O4
Isoemetine, tetradehydro- chemical structure, C29H40N2O4, CAS 7005-82-5
Isoemetine, tetradehydro-
CAS 7005-82-5C29H40N2O4
Emetine chemical structure, C29H40N2O4, CAS 483-18-1
Emetine
CAS 483-18-1C29H40N2O4
Emetine bismuth iodide chemical structure, C29H40BiI3N2O4, CAS 8001-15-8
Emetine bismuth iodide
CAS 8001-15-8C29H40BiI3N2O4
Isoamyl cephaeline phosphate chemical structure, C33H51N2O8P, CAS 64048-68-6
Isoamyl cephaeline phosphate
CAS 64048-68-6C33H51N2O8P
1-(6',7',10,11-Tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2) chemical structure, C32H48Cl2N2O5, CAS 26987-99-5
1-(6',7',10,11-Tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2)
CAS 26987-99-5C32H48Cl2N2O5
RefChem:1065231 chemical structure, C34H52Cl2N2O6, CAS 26988-03-4
RefChem:1065231
CAS 26988-03-4C34H52Cl2N2O6
1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) chemical structure, C33H50Cl2N2O5, CAS 26987-94-0
1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)
CAS 26987-94-0C33H50Cl2N2O5
1-(Heptyloxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2) chemical structure, C39H62Cl2N2O6, CAS 26988-04-5
1-(Heptyloxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2)
CAS 26988-04-5C39H62Cl2N2O6
RefChem:1065229 chemical structure, C42H70Cl3N3O5, CAS 27124-10-3
RefChem:1065229
CAS 27124-10-3C42H70Cl3N3O5
Emetan-6',10-diol, 7',11-dimethoxy- chemical structure, C27H36N2O4, CAS 82570-80-7
Emetan-6',10-diol, 7',11-dimethoxy-
CAS 82570-80-7C27H36N2O4
Isoemetine chemical structure, C29H40N2O4, CAS 522-99-6
Isoemetine
CAS 522-99-6C29H40N2O4
10-Demethylcephaeline chemical structure, C27H36N2O4, CAS 29700-91-2
10-Demethylcephaeline
CAS 29700-91-2C27H36N2O4
6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2) chemical structure, C29H42Br2N2O4, CAS 13903-43-0
6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2)
CAS 13903-43-0C29H42Br2N2O4
(+)-Emetine dihydrochloride hydrate chemical structure, C29H44Cl2N2O5, CAS 7083-71-8
(+)-Emetine dihydrochloride hydrate
CAS 7083-71-8C29H44Cl2N2O5
1-(tert-Butylsulfanyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2) chemical structure, C36H56Cl2N2O5S, CAS 28716-60-1
1-(tert-Butylsulfanyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2)
CAS 28716-60-1C36H56Cl2N2O5S
Emetine, 2'-(3-((2-ethylhexyl)oxy)-2-hydroxypropyl)-, dihydrochloride chemical structure, C40H64Cl2N2O6, CAS 26987-95-1
Emetine, 2'-(3-((2-ethylhexyl)oxy)-2-hydroxypropyl)-, dihydrochloride
CAS 26987-95-1C40H64Cl2N2O6
Emetine, 2'-(3-(sec-butylthio)-2-hydroxypropyl)-, dihydrochloride chemical structure, C36H56Cl2N2O5S, CAS 26988-06-7
Emetine, 2'-(3-(sec-butylthio)-2-hydroxypropyl)-, dihydrochloride
CAS 26988-06-7C36H56Cl2N2O5S
Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester chemical structure, C36H51N3O7, CAS 15911-81-6
Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester
CAS 15911-81-6C36H51N3O7
Cephaeline chemical structure, C28H38N2O4, CAS 483-17-0
Cephaeline
CAS 483-17-0C28H38N2O4
16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha,2-alpha)-(+-)- chemical structure, C28H40Cl2N2O4, CAS 65061-37-2
16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha,2-alpha)-(+-)-
CAS 65061-37-2C28H40Cl2N2O4
16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha)-(+-)- chemical structure, C28H40Cl2N2O4, CAS 65085-35-0
16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha)-(+-)-
CAS 65085-35-0C28H40Cl2N2O4
16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-beta)-(+-)- chemical structure, C28H40Cl2N2O4, CAS 65085-37-2
16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-beta)-(+-)-
CAS 65085-37-2C28H40Cl2N2O4
16,17-Dinoremetan, 1-ethyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-beta)-(+-)- chemical structure, C29H42Cl2N2O4, CAS 65085-38-3
16,17-Dinoremetan, 1-ethyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-beta)-(+-)-
CAS 65085-38-3C29H42Cl2N2O4