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Murcko scaffold

Ring system with 3 rings and 20 atoms

10 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
10
With full pages
3
Scaffold SMILES

c1ccc(CN2CCCN(Cc3ccccc3)C2)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(CN2CCCN(Cc3ccccc3)C2)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 10 of 10 chemicals

1,3-Bis(4-chlorobenzyl)-2-hexylhexahydropyrimidine chemical structure, C24H32Cl2N2, CAS 6952-97-2
1,3-Bis(4-chlorobenzyl)-2-hexylhexahydropyrimidine
CAS 6952-97-2C24H32Cl2N2
2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile chemical structure, C20H20N4, CAS 2604-76-4
2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
CAS 2604-76-4C20H20N4
2,2'-(2-Hexyldihydropyrimidine-1,3(2H,4H)-diyl)bis(phenylacetonitrile) chemical structure, C26H32N4, CAS 2164-74-1
2,2'-(2-Hexyldihydropyrimidine-1,3(2H,4H)-diyl)bis(phenylacetonitrile)
CAS 2164-74-1C26H32N4
2-[[2-Hexyl-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol chemical structure, C26H38N2O4, CAS 6079-06-7
2-[[2-Hexyl-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
CAS 6079-06-7C26H38N2O4
1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine chemical structure, C28H42N2O4, CAS 5022-80-0
1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine
CAS 5022-80-0C28H42N2O4
2-[[3-[(2-Hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol chemical structure, C20H26N2O4, CAS 5767-44-2
2-[[3-[(2-Hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
CAS 5767-44-2C20H26N2O4
2-[[3-[(2-Hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol chemical structure, C18H22N2O2, CAS 141070-23-7
2-[[3-[(2-Hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CAS 141070-23-7C18H22N2O2
Sbb058033 chemical structure, C19H21N3, CAS 86236-77-3
Sbb058033
CAS 86236-77-3C19H21N3
1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane chemical structure, C19H23N3O2, CAS 4064-97-5
1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane
CAS 4064-97-5C19H23N3O2
1,3-Dibenzyl-5-nitrohexahydropyrimidine chemical structure, C18H21N3O2, CAS 4065-01-4
1,3-Dibenzyl-5-nitrohexahydropyrimidine
CAS 4065-01-4C18H21N3O2