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Murcko scaffold

Ring system with 7 rings and 43 atoms

3 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
43
Chemicals
3
With full pages
1
Scaffold SMILES

O=C1NCCN1c1ccc(N2CCN(c3ccc(OCC4OCC(Cn5cncn5)(c5ccccc5)O4)cc3)CC2)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=C1NCCN1c1ccc(N2CCN(c3ccc(OCC4OCC(Cn5cncn5)(c5ccccc5)O4)cc3)CC2)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 3 of 3 chemicals

Pramiconazole chemical structure, C35H39F2N7O4, CAS 219923-85-0
Pramiconazole
CAS 219923-85-0C35H39F2N7O4
1-[4-[4-[4-[[(2R,4S)-4-(2,4-Difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-propan-2-ylimidazolidin-2-one chemical structure, C35H39F2N7O4, CAS 219923-84-9
1-[4-[4-[4-[[(2R,4S)-4-(2,4-Difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-propan-2-ylimidazolidin-2-one
CAS 219923-84-9C35H39F2N7O4
1-[4-[4-[4-[[(4S)-4-(2,4-Difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-propan-2-ylimidazolidin-2-one chemical structure, C35H39F2N7O4
1-[4-[4-[4-[[(4S)-4-(2,4-Difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-propan-2-ylimidazolidin-2-one
C35H39F2N7O4