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Murcko scaffold

Ring system with 3 rings and 23 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
9
With full pages
1
Scaffold SMILES

O=C(OCCN1CCCC1)C(c1ccccc1)c1ccccc1

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(OCCN1CCCC1)C(c1ccccc1)c1ccccc1

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

Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester chemical structure, C20H23NO3, CAS 4398-62-3
Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester
CAS 4398-62-3C20H23NO3
Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride chemical structure, C20H24ClNO3, CAS 4544-14-3
Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
CAS 4544-14-3C20H24ClNO3
Pyrrolidinium, 1-(2-((2-hydroxy-2,2-diphenylacetyl)oxy)ethyl)-1-methyl-, iodide (1:1) chemical structure, C21H26INO3, CAS 3478-15-7
Pyrrolidinium, 1-(2-((2-hydroxy-2,2-diphenylacetyl)oxy)ethyl)-1-methyl-, iodide (1:1)
CAS 3478-15-7C21H26INO3
Etipirium chemical structure, C21H26NO3+, CAS 54505-25-8
Etipirium
CAS 54505-25-8C21H26NO3+
2-(Pyrrolidin-1-yl)ethyl (2,5-dimethylphenyl)(hydroxy)phenylacetate--hydrogen chloride (1/1) chemical structure, C22H28ClNO3, CAS 55798-63-5
2-(Pyrrolidin-1-yl)ethyl (2,5-dimethylphenyl)(hydroxy)phenylacetate--hydrogen chloride (1/1)
CAS 55798-63-5C22H28ClNO3
Dimetipirium bromide chemical structure, C23H30BrNO3, CAS 51047-24-6
Dimetipirium bromide
CAS 51047-24-6C23H30BrNO3
Dimetipirium chemical structure, C23H30NO3+, CAS 59270-39-2
Dimetipirium
CAS 59270-39-2C23H30NO3+
2-(Pyrrolidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) chemical structure, C20H24ClNO2, CAS 5411-37-0
2-(Pyrrolidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
CAS 5411-37-0C20H24ClNO2
Benzilic acid, 2-(2,2-dimethyl-1-pyrrolidinyl)ethyl ester, hydrochloride chemical structure, C22H28ClNO3, CAS 1952-18-7
Benzilic acid, 2-(2,2-dimethyl-1-pyrrolidinyl)ethyl ester, hydrochloride
CAS 1952-18-7C22H28ClNO3