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Murcko scaffold

Ring system with 3 rings and 21 atoms

11 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
11
With full pages
6
Scaffold SMILES

C(=Cc1ccccc1)CSc1nnc(-c2ccccc2)[nH]1

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 C(=Cc1ccccc1)CSc1nnc(-c2ccccc2)[nH]1

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 11 of 11 chemicals

3-((2E)-3-Phenylprop-2-enylthio)-5-phenyl-1,2,4-triazole-4-ylamine chemical structure, C17H16N4S, CAS 578758-70-0
3-((2E)-3-Phenylprop-2-enylthio)-5-phenyl-1,2,4-triazole-4-ylamine
CAS 578758-70-0C17H16N4S
3-(4-Ethoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-4-amine chemical structure, C19H20N4OS, CAS 577961-38-7
3-(4-Ethoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-4-amine
CAS 577961-38-7C19H20N4OS
3-(3-Chlorophenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-4-amine chemical structure, C17H15ClN4S, CAS 578698-78-9
3-(3-Chlorophenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-4-amine
CAS 578698-78-9C17H15ClN4S
3-((2E)-3-Phenylprop-2-enylthio)-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine chemical structure, C18H18N4OS, CAS 676640-16-7
3-((2E)-3-Phenylprop-2-enylthio)-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine
CAS 676640-16-7C18H18N4OS
3-(4-tert-Butylphenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-4-ylamine chemical structure, C21H24N4S, CAS 676245-15-1
3-(4-tert-Butylphenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-4-ylamine
CAS 676245-15-1C21H24N4S
3-((2E)-3-Phenylprop-2-enylthio)-5-(4-fluorophenyl)-1,2,4-triazole-4-ylamine chemical structure, C17H15FN4S, CAS 675845-61-1
3-((2E)-3-Phenylprop-2-enylthio)-5-(4-fluorophenyl)-1,2,4-triazole-4-ylamine
CAS 675845-61-1C17H15FN4S
3-(Cinnamylthio)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-4-amine chemical structure, C17H14Cl2N4S, CAS 675131-44-9
3-(Cinnamylthio)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-4-amine
CAS 675131-44-9C17H14Cl2N4S
4-Methyl-3-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole chemical structure, C18H17N3S, CAS 676152-26-4
4-Methyl-3-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
CAS 676152-26-4C18H17N3S
3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine chemical structure, C20H22N4O3S, CAS 578745-81-0
3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine
CAS 578745-81-0C20H22N4O3S
3-(Cinnamylthio)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine chemical structure, C19H20N4O2S, CAS 573947-36-1
3-(Cinnamylthio)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine
CAS 573947-36-1C19H20N4O2S
3-(4-Chlorophenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-4-amine chemical structure, C17H15ClN4S, CAS 577768-60-6
3-(4-Chlorophenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-4-amine
CAS 577768-60-6C17H15ClN4S