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Murcko scaffold

Ring system with 5 rings and 26 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
26
Chemicals
7
With full pages
0
Scaffold SMILES

c1ccc(C23CC2CN(CCCSc2nnc(-c4cnco4)[nH]2)C3)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(C23CC2CN(CCCSc2nnc(-c4cnco4)[nH]2)C3)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

5-(5-((3-((1S,5R)-1-(2-Fluoro-4-(trifluoromethyl)phenyl)-5-methyl-3-azabicyclo(3.1.0)hexan-3-yl)propyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-4-methyloxazole chemical structure, C22H23F4N5OS, CAS 863680-46-0
5-(5-((3-((1S,5R)-1-(2-Fluoro-4-(trifluoromethyl)phenyl)-5-methyl-3-azabicyclo(3.1.0)hexan-3-yl)propyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-4-methyloxazole
CAS 863680-46-0C22H23F4N5OS
Gsk598809 chemical structure, C22H23F4N5OS, CAS 863680-45-9
Gsk598809
CAS 863680-45-9C22H23F4N5OS
5-(5-((3-(1-(2-Fluoro-4-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]hexan-3-yl)propyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-4-methyloxazole hydrochloride chemical structure, C22H24ClF4N5OS, CAS 863680-44-8
5-(5-((3-(1-(2-Fluoro-4-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]hexan-3-yl)propyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-4-methyloxazole hydrochloride
CAS 863680-44-8C22H24ClF4N5OS
(-)-GSK598809 hydrochloride chemical structure, C22H24ClF4N5OS, CAS 863766-31-8
(-)-GSK598809 hydrochloride
CAS 863766-31-8C22H24ClF4N5OS
5-[5-[3-[(1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)phenyl]-5-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole chemical structure, C23H25F4N5OS, CAS 1310803-30-5
5-[5-[3-[(1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)phenyl]-5-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CAS 1310803-30-5C23H25F4N5OS
GSK-598809 L-tartrate sesquihydrate chemical structure, C52H64F8N10O17S2, CAS 1008521-09-2
GSK-598809 L-tartrate sesquihydrate
CAS 1008521-09-2C52H64F8N10O17S2
GSK-598809 L-tartrate chemical structure, C26H29F4N5O7S, CAS 1008521-08-1
GSK-598809 L-tartrate
CAS 1008521-08-1C26H29F4N5O7S