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Murcko scaffold

Ring system with 4 rings and 21 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
5
With full pages
4
Scaffold SMILES

c1ccc(-n2ncc(-c3nnc[nH]3)c2-n2cccc2)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(-n2ncc(-c3nnc[nH]3)c2-n2cccc2)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 5 of 5 chemicals

Allyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide chemical structure, C19H18N6S, CAS 956741-62-1
Allyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
CAS 956741-62-1C19H18N6S
4-Methyl-3-(methylsulfanyl)-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole chemical structure, C17H16N6S, CAS 956741-67-6
4-Methyl-3-(methylsulfanyl)-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole
CAS 956741-67-6C17H16N6S
4-Methyl-3-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-5-(propylsulfanyl)-4H-1,2,4-triazole chemical structure, C19H20N6S, CAS 956741-70-1
4-Methyl-3-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-5-(propylsulfanyl)-4H-1,2,4-triazole
CAS 956741-70-1C19H20N6S
Ethyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide chemical structure, C18H18N6S, CAS 477709-36-7
Ethyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
CAS 477709-36-7C18H18N6S
Hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide chemical structure, C22H26N6S, CAS 956741-83-6
Hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
CAS 956741-83-6C22H26N6S