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Murcko scaffold

Ring system with 4 rings and 22 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
9
With full pages
3
Scaffold SMILES

O=S(=O)(c1ccccc1)N1CC2CCCN2c2ccccc21

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=S(=O)(c1ccccc1)N1CC2CCCN2c2ccccc21

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 9 of 9 chemicals

4-Chloro-2-{[8-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]sulfonyl}phenyl methyl ether chemical structure, C19H18ClF3N2O3S, CAS 861207-45-6
4-Chloro-2-{[8-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]sulfonyl}phenyl methyl ether
CAS 861207-45-6C19H18ClF3N2O3S
5-[(4-Fluorophenyl)sulfonyl]-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline chemical structure, C18H16F4N2O2S, CAS 860786-78-3
5-[(4-Fluorophenyl)sulfonyl]-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CAS 860786-78-3C18H16F4N2O2S
5-[(4-Methylphenyl)sulfonyl]-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline chemical structure, C19H19F3N2O2S, CAS 861206-81-7
5-[(4-Methylphenyl)sulfonyl]-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CAS 861206-81-7C19H19F3N2O2S
Methyl 4-{[8-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]sulfonyl}phenyl ether chemical structure, C19H19F3N2O3S, CAS 860786-88-5
Methyl 4-{[8-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]sulfonyl}phenyl ether
CAS 860786-88-5C19H19F3N2O3S
Methyl 4-{[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]sulfonyl}phenyl ether chemical structure, C19H19F3N2O3S, CAS 860785-72-4
Methyl 4-{[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]sulfonyl}phenyl ether
CAS 860785-72-4C19H19F3N2O3S
5-[(4-Iodophenyl)sulfonyl]-8-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline chemical structure, C18H16F3IN2O2S, CAS 861207-33-2
5-[(4-Iodophenyl)sulfonyl]-8-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CAS 861207-33-2C18H16F3IN2O2S
5-{[4-(tert-Pentyl)phenyl]sulfonyl}-8-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline chemical structure, C23H27F3N2O2S, CAS 861207-31-0
5-{[4-(tert-Pentyl)phenyl]sulfonyl}-8-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CAS 861207-31-0C23H27F3N2O2S
5-{[4-(tert-Butyl)phenyl]sulfonyl}-8-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline chemical structure, C22H25F3N2O2S, CAS 861207-32-1
5-{[4-(tert-Butyl)phenyl]sulfonyl}-8-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CAS 861207-32-1C22H25F3N2O2S
5-[(2,5-Dichlorophenyl)sulfonyl]-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline chemical structure, C18H15Cl2F3N2O2S, CAS 861206-83-9
5-[(2,5-Dichlorophenyl)sulfonyl]-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CAS 861206-83-9C18H15Cl2F3N2O2S