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Murcko scaffold

Ring system with 5 rings and 31 atoms

10 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
10
With full pages
1
Scaffold SMILES

O=C1C(=O)N(Cc2ccncc2)C(c2ccccc2)C1=Cc1ccc2c(c1)OCCO2

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=C1C(=O)N(Cc2ccncc2)C(c2ccccc2)C1=Cc1ccc2c(c1)OCCO2

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 10 of 10 chemicals

Methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate chemical structure, C27H22N2O7
Methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate
C27H22N2O7
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione chemical structure, C27H24N2O6
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
C27H24N2O6
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-phenyl-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one chemical structure, C25H20N2O5
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-phenyl-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
C25H20N2O5
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one chemical structure, C28H26N2O5
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
C28H26N2O5
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-[3-(prop-2-en-1-yloxy)phenyl]-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one chemical structure, C28H24N2O6
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-[3-(prop-2-en-1-yloxy)phenyl]-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
C28H24N2O6
Methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzoate chemical structure, C27H22N2O7, CAS 620566-60-1
Methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzoate
CAS 620566-60-1C27H22N2O7
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-5-(3-ethoxyphenyl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one chemical structure, C27H24N2O6, CAS 620566-96-3
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-5-(3-ethoxyphenyl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
CAS 620566-96-3C27H24N2O6
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione chemical structure, C25H20N2O5, CAS 618362-86-0
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CAS 618362-86-0C25H20N2O5
4-(2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one chemical structure, C28H26N2O5, CAS 620566-44-1
4-(2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one
CAS 620566-44-1C28H26N2O5
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-prop-2-enoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione chemical structure, C28H24N2O6, CAS 620566-86-1
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-prop-2-enoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CAS 620566-86-1C28H24N2O6