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Murcko scaffold

Ring system with 3 rings and 21 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
5
With full pages
3
Scaffold SMILES

C(=Cc1ccccc1)CSc1nnc(-c2ccncc2)[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(-c2ccncc2)[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 5 of 5 chemicals

Cinnamyl 4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide chemical structure, C17H16N4S, CAS 676246-75-6
Cinnamyl 4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
CAS 676246-75-6C17H16N4S
3-(Cinnamylthio)-5-(4-pyridinyl)-4H-1,2,4-triazol-4-amine chemical structure, C16H15N5S, CAS 675171-18-3
3-(Cinnamylthio)-5-(4-pyridinyl)-4H-1,2,4-triazol-4-amine
CAS 675171-18-3C16H15N5S
Cinnamyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide chemical structure, C18H18N4S, CAS 501112-81-8
Cinnamyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
CAS 501112-81-8C18H18N4S
3-((2E)-3-Phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole chemical structure, C19H18N4S, CAS 468079-63-2
3-((2E)-3-Phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole
CAS 468079-63-2C19H18N4S
(Z)-4-(4-Ethyl-5-((3-phenylallyl)thio)-4H-1,2,4-triazol-3-yl)pyridine chemical structure, C18H18N4S, CAS 1322222-73-0
(Z)-4-(4-Ethyl-5-((3-phenylallyl)thio)-4H-1,2,4-triazol-3-yl)pyridine
CAS 1322222-73-0C18H18N4S