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Murcko scaffold

Ring system with 5 rings and 23 atoms

11 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
23
Chemicals
11
With full pages
5
Scaffold SMILES

O=C(OC1CC2NC(C1)C1OC21)C(c1cccs1)c1cccs1

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=C(OC1CC2NC(C1)C1OC21)C(c1cccs1)c1cccs1

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

(9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate, bromide chemical structure, C19H22BrNO4S2, CAS 1352567-52-2
(9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate, bromide
CAS 1352567-52-2C19H22BrNO4S2
[(1S,2S,4S,5R)-9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate, bromide chemical structure, C19H22BrNO4S2, CAS 136521-48-7
[(1S,2S,4S,5R)-9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate, bromide
CAS 136521-48-7C19H22BrNO4S2
[(1R,2S,4R,5S)-9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate, bromide chemical structure, C19H22BrNO4S2, CAS 136431-94-2
[(1R,2S,4R,5S)-9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate, bromide
CAS 136431-94-2C19H22BrNO4S2
Olodaterol/tiotropium bromide chemical structure, C19H22BrNO4S2, CAS 136310-93-5
Olodaterol/tiotropium bromide
CAS 136310-93-5C19H22BrNO4S2
(3H)tiotropium chemical structure, C19H22NO4S2+, CAS 186691-13-4
(3H)tiotropium
CAS 186691-13-4C19H22NO4S2+
Tiotropium bromide monohydrate chemical structure, C19H24BrNO5S2, CAS 139404-48-1
Tiotropium bromide monohydrate
CAS 139404-48-1C19H24BrNO5S2
(1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl alpha-hydroxy-alpha-2-thienyl-2-thiopheneacetate chemical structure, C18H19NO4S2, CAS 136310-64-0
(1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl alpha-hydroxy-alpha-2-thienyl-2-thiopheneacetate
CAS 136310-64-0C18H19NO4S2
Tiotropium-d3 bromide chemical structure, C19H22BrNO4S2, CAS 1127226-56-5
Tiotropium-d3 bromide
CAS 1127226-56-5C19H22BrNO4S2
Tiotropium bromide monomethanolate chemical structure, C20H26BrNO5S2, CAS 913719-58-1
Tiotropium bromide monomethanolate
CAS 913719-58-1C20H26BrNO5S2
Tiotropium-d6 bromide chemical structure, C19H22BrNO4S2, CAS 1126775-44-7
Tiotropium-d6 bromide
CAS 1126775-44-7C19H22BrNO4S2
Scopine Di(2-thienylglycolate)-D3 chemical structure, C18H19NO4S2, CAS 1126775-83-4
Scopine Di(2-thienylglycolate)-D3
CAS 1126775-83-4C18H19NO4S2