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Murcko scaffold

Ring system with 7 rings and 43 atoms

34 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
43
Chemicals
34
With full pages
4
Scaffold SMILES

O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OCC4COC(Cn5cncn5)(c5ccccc5)C4)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=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OCC4COC(Cn5cncn5)(c5ccccc5)C4)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 34 of 34 chemicals

4-[4-[4-[4-[[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-pentan-3-yl-1,2,4-triazol-3-one chemical structure, C37H42F2N8O3, CAS 161532-65-6
4-[4-[4-[4-[[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-pentan-3-yl-1,2,4-triazol-3-one
CAS 161532-65-6C37H42F2N8O3
Posaconazole chemical structure, C37H42F2N8O4, CAS 171228-49-2
Posaconazole
CAS 171228-49-2C37H42F2N8O4
Sch 59884 chemical structure, C41H49F2N8O9P, CAS 200346-83-4
Sch 59884
CAS 200346-83-4C41H49F2N8O9P
2-Butan-2-yl-4-[4-[4-[4-[[5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one chemical structure, C36H40F2N8O3, CAS 160709-03-5
2-Butan-2-yl-4-[4-[4-[4-[[5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CAS 160709-03-5C36H40F2N8O3
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(4-hydroxy-1-oxobutoxy)propyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol chemical structure, C41H48F2N8O6, CAS 221615-76-5
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(4-hydroxy-1-oxobutoxy)propyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
CAS 221615-76-5C41H48F2N8O6
Posaconazole impurity A chemical structure, C37H42F2N8O4, CAS 171228-51-6
Posaconazole impurity A
CAS 171228-51-6C37H42F2N8O4
(R)-Posaconazole chemical structure, C37H42F2N8O4, CAS 171228-50-5
(R)-Posaconazole
CAS 171228-50-5C37H42F2N8O4
4-(4-(4-(4-((5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one chemical structure, C37H42F2N8O4, CAS 867063-95-4
4-(4-(4-(4-((5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
CAS 867063-95-4C37H42F2N8O4
Posaconazole DiastereoisoMer 2 chemical structure, C37H42F2N8O4, CAS 213381-05-6
Posaconazole DiastereoisoMer 2
CAS 213381-05-6C37H42F2N8O4
Posaconazole, all-(S)- chemical structure, C37H42F2N8O4, CAS 1246391-73-0
Posaconazole, all-(S)-
CAS 1246391-73-0C37H42F2N8O4
Posaconazole, all-(R)- chemical structure, C37H42F2N8O4, CAS 170985-61-2
Posaconazole, all-(R)-
CAS 170985-61-2C37H42F2N8O4
RefChem:447919 chemical structure, C37H42F2N8O4, CAS 1133712-26-1
RefChem:447919
CAS 1133712-26-1C37H42F2N8O4
Posaconazole inter-8 chemical structure, C32H32F2N8O3, CAS 161532-56-5
Posaconazole inter-8
CAS 161532-56-5C32H32F2N8O3
Posaconazole, (3S)- chemical structure, C37H42F2N8O4, CAS 213381-02-3
Posaconazole, (3S)-
CAS 213381-02-3C37H42F2N8O4
Posaconazole (hydrate) chemical structure, C37H44F2N8O5, CAS 1198769-38-8
Posaconazole (hydrate)
CAS 1198769-38-8C37H44F2N8O5
Posaconazole impurity M chemical structure, C37H42F2N8O4, CAS 2243785-99-9
Posaconazole impurity M
CAS 2243785-99-9C37H42F2N8O4
Posaconazole, (+)- chemical structure, C37H42F2N8O4, CAS 2243785-97-7
Posaconazole, (+)-
CAS 2243785-97-7C37H42F2N8O4
ent-Posaconazole chemical structure, C37H42F2N8O4, CAS 2243785-98-8
ent-Posaconazole
CAS 2243785-98-8C37H42F2N8O4
Posaconazole hydrate chemical structure, C37H44F2N8O5, CAS 1202896-73-8
Posaconazole hydrate
CAS 1202896-73-8C37H44F2N8O5
(3R,5S)Posaconazole chemical structure, C37H42F2N8O4, CAS 1229428-90-3
(3R,5S)Posaconazole
CAS 1229428-90-3C37H42F2N8O4
(3S,5R)-Posaconazole chemical structure, C37H42F2N8O4, CAS 213381-04-5
(3S,5R)-Posaconazole
CAS 213381-04-5C37H42F2N8O4
Posaconazole impurity C chemical structure, C37H42F2N8O4
Posaconazole impurity C
C37H42F2N8O4
Posaconazole impurity K chemical structure, C37H42F2N8O4, CAS 213381-06-7
Posaconazole impurity K
CAS 213381-06-7C37H42F2N8O4
Posaconazole impurity 20 chemical structure, C37H42F2N8O4, CAS 1229428-91-4
Posaconazole impurity 20
CAS 1229428-91-4C37H42F2N8O4