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Murcko scaffold

Ring system with 4 rings and 27 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
4
With full pages
1
Scaffold SMILES

C(=Cc1ccccc1)CSc1nnc(-c2ccccc2)n1-c1ccccc1

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)n1-c1ccccc1

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 4 of 4 chemicals

3-(4-tert-Butylphenyl)-4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole chemical structure, C28H29N3OS, CAS 499102-95-3
3-(4-tert-Butylphenyl)-4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
CAS 499102-95-3C28H29N3OS
3-(4-Chlorophenyl)-5-(cinnamylthio)-4-(4-methylphenyl)-4H-1,2,4-triazole chemical structure, C24H20ClN3S, CAS 477735-17-4
3-(4-Chlorophenyl)-5-(cinnamylthio)-4-(4-methylphenyl)-4H-1,2,4-triazole
CAS 477735-17-4C24H20ClN3S
3-(3-Chlorophenyl)-4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole chemical structure, C23H18ClN3S, CAS 324779-56-8
3-(3-Chlorophenyl)-4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
CAS 324779-56-8C23H18ClN3S
3-(3,4-Dimethoxyphenyl)-4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole chemical structure, C25H23N3O2S, CAS 1321983-06-5
3-(3,4-Dimethoxyphenyl)-4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
CAS 1321983-06-5C25H23N3O2S