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Murcko scaffold

Ring system with 5 rings and 31 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
7
With full pages
2
Scaffold SMILES

c1ccc(C2(Cn3cncn3)OCC(COc3ccc(N4CCNCC4)cc3)O2)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(C2(Cn3cncn3)OCC(COc3ccc(N4CCNCC4)cc3)O2)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

1-(4-((2-(2,4-Dichlorophenyl)-2-((1H-1,2,4-triazol-1-yl)methyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(propan-2-yl)piperazine chemical structure, C26H31Cl2N5O3, CAS 1486497-66-8
1-(4-((2-(2,4-Dichlorophenyl)-2-((1H-1,2,4-triazol-1-yl)methyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(propan-2-yl)piperazine
CAS 1486497-66-8C26H31Cl2N5O3
Terconazole chemical structure, C26H31Cl2N5O3, CAS 67915-31-5
Terconazole
CAS 67915-31-5C26H31Cl2N5O3
rel-(2S,4S)-Terconazole chemical structure, C26H31Cl2N5O3
rel-(2S,4S)-Terconazole
C26H31Cl2N5O3
Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel- chemical structure, C25H27Cl2N5O4, CAS 67915-35-9
Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-
CAS 67915-35-9C25H27Cl2N5O4
6Smo7LX388 chemical structure, C26H31Cl2N5O3
6Smo7LX388
C26H31Cl2N5O3
Terconazole-d4 chemical structure, C26H31Cl2N5O3, CAS 1398065-50-3
Terconazole-d4
CAS 1398065-50-3C26H31Cl2N5O3
1-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-difluorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine chemical structure, C23H25F2N5O3, CAS 1349138-86-8
1-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-difluorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
CAS 1349138-86-8C23H25F2N5O3