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Murcko scaffold

Ring system with 2 rings and 12 atoms

8 chemicals on CompoundList share this ring system.

Rings: 2
Scaffold atoms: 12
Chemicals: 8
With full pages: 4

Scaffold SMILES

O=C1CC(c2ccco2)C=CN1

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 O=C1CC(c2ccco2)C=CN1

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 8 of 8 chemicals

2-(Hexylthio)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile chemical structure, C17H22N2O2S, CAS 375836-10-5

2-(Hexylthio)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

CAS 375836-10-5C₁₇H₂₂N₂O₂S

Ethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate chemical structure, C14H14N2O4, CAS 94640-19-4

Ethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

CAS 94640-19-4C₁₄H₁₄N₂O₄

Ethyl 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate chemical structure, C14H14N2O4S, CAS 312511-91-4

Ethyl 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate

CAS 312511-91-4C₁₄H₁₄N₂O₄S

AC1Megie chemical structure, C14H16N2O2S, CAS 5605-22-1

CAS 5605-22-1C₁₄H₁₆N₂O₂S

2-((3-Cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide chemical structure, C13H13N3O3S, CAS 316358-10-8

2-((3-Cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide

CAS 316358-10-8C₁₃H₁₃N₃O₃S

4-(5-Methyl-2-furyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile chemical structure, C12H12N2O2S, CAS 342594-59-6

4-(5-Methyl-2-furyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile

CAS 342594-59-6C₁₂H₁₂N₂O₂S

Methyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate chemical structure, C14H14N2O4S, CAS 330557-89-6

Methyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

CAS 330557-89-6C₁₄H₁₄N₂O₄S

4-(Furan-2-yl)-6-oxo-2-sulfanyl-1,4,5,6-tetrahydropyridine-3-carbonitrile chemical structure, C10H8N2O2S, CAS 755759-50-3

4-(Furan-2-yl)-6-oxo-2-sulfanyl-1,4,5,6-tetrahydropyridine-3-carbonitrile

CAS 755759-50-3C₁₀H₈N₂O₂S