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Murcko scaffold

Ring system with 3 rings and 20 atoms

35 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
35
With full pages
11
Scaffold SMILES

O=C(OC1CCNC1)C(c1ccccc1)C1CCCC1

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(OC1CCNC1)C(c1ccccc1)C1CCCC1

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 35 of 35 chemicals

Glycopyrronium chemical structure, C19H28NO3+, CAS 740028-90-4
Glycopyrronium
CAS 740028-90-4C19H28NO3+
Glycopyrrolate chemical structure, C19H28BrNO3, CAS 596-51-0
Glycopyrrolate
CAS 596-51-0C19H28BrNO3
N-Methyl-3-pyrrolidinyl Cyclopentylmandelate chemical structure, C18H25NO3, CAS 13118-11-1
N-Methyl-3-pyrrolidinyl Cyclopentylmandelate
CAS 13118-11-1C18H25NO3
1-Ethylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate hydrochloride chemical structure, C19H28ClNO3, CAS 60573-74-2
1-Ethylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate hydrochloride
CAS 60573-74-2C19H28ClNO3
1-Butylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1) chemical structure, C21H32ClNO3, CAS 101710-77-4
1-Butylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
CAS 101710-77-4C21H32ClNO3
Cyclopyrronium bromide chemical structure, C20H30BrNO2, CAS 15599-22-1
Cyclopyrronium bromide
CAS 15599-22-1C20H30BrNO2
Cyclopyrronium chemical structure, C20H30NO2+, CAS 732183-55-0
Cyclopyrronium
CAS 732183-55-0C20H30NO2+
(S)-1-Methylpyrrolidin-3-yl (R)-2-cyclopentyl-2-hydroxy-2-phenylacetate chemical structure, C18H25NO3, CAS 207856-85-7
(S)-1-Methylpyrrolidin-3-yl (R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CAS 207856-85-7C18H25NO3
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, (3R)- chemical structure, C19H28NO3+, CAS 201932-04-9
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, (3R)-
CAS 201932-04-9C19H28NO3+
(R)-(R)-1-Methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate chemical structure, C18H25NO3, CAS 616866-21-8
(R)-(R)-1-Methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CAS 616866-21-8C18H25NO3
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)- chemical structure, C19H28BrNO3, CAS 129784-11-8
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-
CAS 129784-11-8C19H28BrNO3
Ritropirronium bromide chemical structure, C19H28BrNO3, CAS 475468-09-8
Ritropirronium bromide
CAS 475468-09-8C19H28BrNO3
Glycopyrronium, threo- chemical structure, C19H28NO3+, CAS 202185-74-8
Glycopyrronium, threo-
CAS 202185-74-8C19H28NO3+
Glycopyrronium, (2R,3'S)- chemical structure, C19H28NO3+, CAS 746600-85-1
Glycopyrronium, (2R,3'S)-
CAS 746600-85-1C19H28NO3+
Glycopyrrolate iodide chemical structure, C19H28INO3, CAS 873295-32-0
Glycopyrrolate iodide
CAS 873295-32-0C19H28INO3
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3S)- chemical structure, C19H28BrNO3, CAS 201667-20-1
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3S)-
CAS 201667-20-1C19H28BrNO3
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, (3S)- chemical structure, C19H28NO3+, CAS 754152-54-0
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, (3S)-
CAS 754152-54-0C19H28NO3+
RefChem:391173 chemical structure, C26H35NO6S, CAS 873295-46-6
RefChem:391173
CAS 873295-46-6C26H35NO6S
Ahr 376 chemical structure, C18H26ClNO3, CAS 13118-10-0
Ahr 376
CAS 13118-10-0C18H26ClNO3
Pyrrolidinium, 1-butyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate chemical structure, C22H34BrNO3, CAS 102584-63-4
Pyrrolidinium, 1-butyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
CAS 102584-63-4C22H34BrNO3
(R)-1-Methylpyrrolidin-3-yl (S)-2-cyclopentyl-2-hydroxy-2-phenylacetate chemical structure, C18H25NO3, CAS 937179-78-7
(R)-1-Methylpyrrolidin-3-yl (S)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CAS 937179-78-7C18H25NO3
Pyrrolidinium, 1,1-dimethyl-3-hydroxy-, bromide, alpha-phenylcyclopentaneacetate chemical structure, C19H28BrNO2, CAS 102584-66-7
Pyrrolidinium, 1,1-dimethyl-3-hydroxy-, bromide, alpha-phenylcyclopentaneacetate
CAS 102584-66-7C19H28BrNO2
erythro-Glycopyrronium bromide chemical structure, C19H28BrNO3, CAS 51186-83-5
erythro-Glycopyrronium bromide
CAS 51186-83-5C19H28BrNO3
(3RS)-3-((2SR)-(2-(4-Chlorophenyl)-2-cyclopentyl-2-hydroxyacetyl)oxy)-1,1-dimethylpyrrolidinium chemical structure, C19H27ClNO3+, CAS 1404617-94-2
(3RS)-3-((2SR)-(2-(4-Chlorophenyl)-2-cyclopentyl-2-hydroxyacetyl)oxy)-1,1-dimethylpyrrolidinium
CAS 1404617-94-2C19H27ClNO3+