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Murcko scaffold

Ring system with 3 rings and 23 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
7
With full pages
1
Scaffold SMILES

O=C(c1ccccc1)N1CCC(CNCc2ccccn2)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 O=C(c1ccccc1)N1CCC(CNCc2ccccn2)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 7 of 7 chemicals

(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-6-(methylamino)pyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone chemical structure, C21H25ClF2N4O, CAS 208109-38-0
(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-6-(methylamino)pyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone
CAS 208109-38-0C21H25ClF2N4O
Befiradol chemical structure, C20H22ClF2N3O, CAS 208110-64-9
Befiradol
CAS 208110-64-9C20H22ClF2N3O
F13714 fumarate chemical structure, C25H29ClF2N4O5, CAS 208109-39-1
F13714 fumarate
CAS 208109-39-1C25H29ClF2N4O5
Befiradol fumarate chemical structure, C24H26ClF2N3O5, CAS 208110-65-0
Befiradol fumarate
CAS 208110-65-0C24H26ClF2N3O5
(3-Chloro-4-fluorophenyl)[4-[[[[6-(diethylamino)-2-pyridinyl]methyl]amino]methyl]-4-fluoro-1-piperidinyl]methanone chemical structure, C23H29ClF2N4O, CAS 208110-66-1
(3-Chloro-4-fluorophenyl)[4-[[[[6-(diethylamino)-2-pyridinyl]methyl]amino]methyl]-4-fluoro-1-piperidinyl]methanone
CAS 208110-66-1C23H29ClF2N4O
Befiradol F-18 chemical structure, C20H22ClF2N3O, CAS 903528-75-6
Befiradol F-18
CAS 903528-75-6C20H22ClF2N3O
Befiradol hydrochloride chemical structure, C20H23Cl2F2N3O, CAS 2436760-81-3
Befiradol hydrochloride
CAS 2436760-81-3C20H23Cl2F2N3O