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Murcko scaffold

Ring system with 6 rings and 30 atoms

9 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
30
Chemicals
9
With full pages
0
Scaffold SMILES

O=C1OCC2C(Nc3ccccc3)c3cc4c(cc3C(c3ccccc3)C12)OCO4

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=C1OCC2C(Nc3ccccc3)c3cc4c(cc3C(c3ccccc3)C12)OCO4

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

NPF-etoposide chemical structure, C27H24FNO7, CAS 125830-36-6
NPF-etoposide
CAS 125830-36-6C27H24FNO7
4-{[(5R,9S)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzonitrile chemical structure, C28H24N2O7, CAS 127882-56-8
4-{[(5R,9S)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzonitrile
CAS 127882-56-8C28H24N2O7
Ethyl 4-{[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzoate chemical structure, C30H29NO9, CAS 127882-59-1
Ethyl 4-{[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzoate
CAS 127882-59-1C30H29NO9
GL-331 chemical structure, C27H24N2O9, CAS 127882-73-9
GL-331
CAS 127882-73-9C27H24N2O9
(5S,5aS,8aR,9R)-5-(4-Aminoanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one, hydrochloride chemical structure, C27H27ClN2O7, CAS 127882-79-5
(5S,5aS,8aR,9R)-5-(4-Aminoanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one, hydrochloride
CAS 127882-79-5C27H27ClN2O7
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4-fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aS,9S)- chemical structure, C28H26FNO7, CAS 201594-21-0
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4-fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aS,9S)-
CAS 201594-21-0C28H26FNO7
(5S,5aS,8aR,9R)-5-(5-Amino-2-hydroxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one chemical structure, C27H26N2O8, CAS 762206-44-0
(5S,5aS,8aR,9R)-5-(5-Amino-2-hydroxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CAS 762206-44-0C27H26N2O8
(5S,5aS,8aR,9S)-9-(2-Chloro-4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one chemical structure, C27H24ClNO8, CAS 138261-35-5
(5S,5aS,8aR,9S)-9-(2-Chloro-4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CAS 138261-35-5C27H24ClNO8
(5S,5aS,8aR,9R)-5-Anilino-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one chemical structure, C26H23NO7, CAS 147199-54-0
(5S,5aS,8aR,9R)-5-Anilino-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CAS 147199-54-0C26H23NO7