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Murcko scaffold

Ring system with 3 rings and 23 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
5
With full pages
1
Scaffold SMILES

O=C(CN1CCN(Cc2ccccc2)CC1)Oc1ccccc1

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 O=C(CN1CCN(Cc2ccccc2)CC1)Oc1ccccc1

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 5 of 5 chemicals

FC 669 chemical structure, C26H38Cl2N2O2, CAS 1877-54-9
FC 669
CAS 1877-54-9C26H38Cl2N2O2
KB-5492 free base chemical structure, C23H30N2O6, CAS 113594-64-2
KB-5492 free base
CAS 113594-64-2C23H30N2O6
1-Piperazineacetic acid, 4-((2,3,4-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, dihydrochloride chemical structure, C23H32Cl2N2O6, CAS 113594-65-3
1-Piperazineacetic acid, 4-((2,3,4-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, dihydrochloride
CAS 113594-65-3C23H32Cl2N2O6
KB 5492 chemical structure, C27H34N2O10, CAS 129200-10-8
KB 5492
CAS 129200-10-8C27H34N2O10
1-Piperazineacetic acid, 4-((3,4,5-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, (E)-2-butenedioate, hydrate (1:2:1) chemical structure, C31H38N2O14, CAS 113594-68-6
1-Piperazineacetic acid, 4-((3,4,5-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, (E)-2-butenedioate, hydrate (1:2:1)
CAS 113594-68-6C31H38N2O14