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Murcko scaffold

Ring system with 4 rings and 21 atoms

47 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
47
With full pages
2
Scaffold SMILES

c1ccc(C2CN(c3ccccc3)C3=[N+]2CCCC3)cc1

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 c1ccc(C2CN(c3ccccc3)C3=[N+]2CCCC3)cc1

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 47 of 47 chemicals

3-Hydroxy-1-(4-methoxyphenyl)-3-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C21H25BrN2O2, CAS 1106749-96-5
3-Hydroxy-1-(4-methoxyphenyl)-3-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106749-96-5C21H25BrN2O2
1-(4-Ethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C21H24BrFN2O2, CAS 1039433-92-5
1-(4-Ethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1039433-92-5C21H24BrFN2O2
3-(4-Fluorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C20H22BrFN2O2, CAS 1039434-13-3
3-(4-Fluorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1039434-13-3C20H22BrFN2O2
3-Hydroxy-1,3-diphenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C19H21BrN2O, CAS 1106749-52-3
3-Hydroxy-1,3-diphenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106749-52-3C19H21BrN2O
3-(4-Chlorophenyl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C19H20BrClN2O, CAS 1101751-91-0
3-(4-Chlorophenyl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1101751-91-0C19H20BrClN2O
3-Hydroxy-3-(3-nitrophenyl)-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C19H20BrN3O3, CAS 1104734-42-0
3-Hydroxy-3-(3-nitrophenyl)-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1104734-42-0C19H20BrN3O3
3-(2-Fluoro-4-methoxyphenyl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C20H22BrFN2O2, CAS 1107548-74-2
3-(2-Fluoro-4-methoxyphenyl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1107548-74-2C20H22BrFN2O2
1-(4-Bromophenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C19H19Br2FN2O, CAS 1106749-59-0
1-(4-Bromophenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106749-59-0C19H19Br2FN2O
1-(4-Bromophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C20H22Br2N2O2, CAS 1101751-82-9
1-(4-Bromophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1101751-82-9C20H22Br2N2O2
3-Hydroxy-1,3-di-p-tolyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C21H25BrN2O, CAS 1104737-98-5
3-Hydroxy-1,3-di-p-tolyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1104737-98-5C21H25BrN2O
3-(4-Chlorophenyl)-3-hydroxy-1-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C20H22BrClN2O, CAS 1107548-84-4
3-(4-Chlorophenyl)-3-hydroxy-1-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1107548-84-4C20H22BrClN2O
3-(4-(Difluoromethoxy)phenyl)-3-hydroxy-1-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C21H23BrF2N2O2, CAS 1106751-79-4
3-(4-(Difluoromethoxy)phenyl)-3-hydroxy-1-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106751-79-4C21H23BrF2N2O2
3-(3,4-Dimethoxyphenyl)-3-hydroxy-1-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C22H27BrN2O3, CAS 1106749-67-0
3-(3,4-Dimethoxyphenyl)-3-hydroxy-1-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106749-67-0C22H27BrN2O3
3-(4-Fluorophenyl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C20H22BrFN2O2, CAS 2359672-76-5
3-(4-Fluorophenyl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 2359672-76-5C20H22BrFN2O2
3-(4-Ethylphenyl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C22H27BrN2O2, CAS 1104737-99-6
3-(4-Ethylphenyl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1104737-99-6C22H27BrN2O2
1-(2,3-Dimethylphenyl)-3-hydroxy-3-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C22H27BrN2O, CAS 1106749-76-1
1-(2,3-Dimethylphenyl)-3-hydroxy-3-(p-tolyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106749-76-1C22H27BrN2O
1-(2,3-Dimethylphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C21H24BrFN2O, CAS 1101751-20-5
1-(2,3-Dimethylphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1101751-20-5C21H24BrFN2O
1-(2,5-Dimethylphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C21H24BrFN2O, CAS 1107549-02-9
1-(2,5-Dimethylphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1107549-02-9C21H24BrFN2O
1-(2,5-Dimethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C22H27BrN2O2, CAS 1106751-96-5
1-(2,5-Dimethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106751-96-5C22H27BrN2O2
1-(2,5-Dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C23H29BrN2O2, CAS 1106749-87-4
1-(2,5-Dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106749-87-4C23H29BrN2O2
3-(3,4-Dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C23H29BrN2O3, CAS 1101751-13-6
3-(3,4-Dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1101751-13-6C23H29BrN2O3
1-(4-Ethylphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C21H24BrFN2O, CAS 1104738-02-4
1-(4-Ethylphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1104738-02-4C21H24BrFN2O
1-(4-Ethylphenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C21H24BrN3O3, CAS 1107549-39-2
1-(4-Ethylphenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1107549-39-2C21H24BrN3O3
3-(3,4-Dimethoxyphenyl)-1-(4-ethylphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide chemical structure, C23H29BrN2O3, CAS 1106769-45-2
3-(3,4-Dimethoxyphenyl)-1-(4-ethylphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium bromide
CAS 1106769-45-2C23H29BrN2O3