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Murcko scaffold

Ring system with 3 rings and 23 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
9
With full pages
2
Scaffold SMILES

O=C(CCCN1CCN(c2ccccn2)CC1)c1ccccc1

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(CCCN1CCN(c2ccccn2)CC1)c1ccccc1

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 9 of 9 chemicals

Azaperone chemical structure, C19H22FN3O, CAS 1649-18-9
Azaperone
CAS 1649-18-9C19H22FN3O
Butyrophenone, 4-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride chemical structure, C22H31Cl2N3O4, CAS 16785-30-1
Butyrophenone, 4-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
CAS 16785-30-1C22H31Cl2N3O4
Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)- chemical structure, C19H22FN3O2, CAS 51037-58-2
Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)-
CAS 51037-58-2C19H22FN3O2
4-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-1-(4-fluorophenyl)butan-1-one chemical structure, C20H20ClF4N3O, CAS 860611-57-0
4-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-1-(4-fluorophenyl)butan-1-one
CAS 860611-57-0C20H20ClF4N3O
Azaperone dimaleate chemical structure, C27H30FN3O9, CAS 59698-53-2
Azaperone dimaleate
CAS 59698-53-2C27H30FN3O9
Azaperone tartrate chemical structure, C23H28FN3O7, CAS 1204130-47-1
Azaperone tartrate
CAS 1204130-47-1C23H28FN3O7
Azaperone-d4 chemical structure, C19H22FN3O, CAS 1173021-72-1
Azaperone-d4
CAS 1173021-72-1C19H22FN3O
1-Butanone, 1-(4-fluorophenyl)-4-[1-oxido-4-(2-pyridinyl)-1-piperazinyl]- chemical structure, C19H22FN3O2, CAS 66065-28-9
1-Butanone, 1-(4-fluorophenyl)-4-[1-oxido-4-(2-pyridinyl)-1-piperazinyl]-
CAS 66065-28-9C19H22FN3O2
1-(4-Fluorophenyl)-4-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]-1-butanone chemical structure, C20H24FN3O, CAS 3871-86-1
1-(4-Fluorophenyl)-4-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]-1-butanone
CAS 3871-86-1C20H24FN3O