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Murcko scaffold

Ring system with 4 rings and 25 atoms

33 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
33
With full pages
6
Scaffold SMILES

c1cc(Cc2ccc(OC3CCOC3)cc2)cc(C2CCCCO2)c1

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 c1cc(Cc2ccc(OC3CCOC3)cc2)cc(C2CCCCO2)c1

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 33 of 33 chemicals

Empagliflozin chemical structure, C23H27ClO7, CAS 864070-44-0
Empagliflozin
CAS 864070-44-0C23H27ClO7
(1S)-1,5-Anhydro-1-C-(4-chloro-3-((4-(((3R)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-D-glucitol chemical structure, C23H27ClO7, CAS 864070-43-9
(1S)-1,5-Anhydro-1-C-(4-chloro-3-((4-(((3R)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-D-glucitol
CAS 864070-43-9C23H27ClO7
Peracetyl (R)-empagliflozin chemical structure, C31H35ClO11, CAS 915095-98-6
Peracetyl (R)-empagliflozin
CAS 915095-98-6C31H35ClO11
[(2R,3R,4S,5R)-3,4,5-Triacetyloxy-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methoxyoxan-2-yl]methyl acetate chemical structure, C32H37ClO12, CAS 2069942-68-1
[(2R,3R,4S,5R)-3,4,5-Triacetyloxy-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methoxyoxan-2-yl]methyl acetate
CAS 2069942-68-1C32H37ClO12
1-C-(4-Chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-I+--D-glucopyranose chemical structure, C23H27ClO8, CAS 1279691-35-8
1-C-(4-Chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-I+--D-glucopyranose
CAS 1279691-35-8C23H27ClO8
1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol chemical structure, C23H27ClO7, CAS 1417573-74-0
1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol
CAS 1417573-74-0C23H27ClO7
(2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol chemical structure, C24H29ClO8, CAS 1279691-36-9
(2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
CAS 1279691-36-9C24H29ClO8
Peracetyl empagliflozin chemical structure, C31H35ClO11, CAS 915095-99-7
Peracetyl empagliflozin
CAS 915095-99-7C31H35ClO11
Methyl 1-C-(4-chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-D-glucopyranoside chemical structure, C24H29ClO8, CAS 915095-96-4
Methyl 1-C-(4-chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-D-glucopyranoside
CAS 915095-96-4C24H29ClO8
Zgh2H89TK9 chemical structure, C24H29ClO8, CAS 915095-95-3
Zgh2H89TK9
CAS 915095-95-3C24H29ClO8
1-C-(4-Chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-I2-D-glucopyranose chemical structure, C23H27ClO8, CAS 1799552-93-4
1-C-(4-Chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-I2-D-glucopyranose
CAS 1799552-93-4C23H27ClO8
Methyl (5S)-5-{4-chloro-3-[(4-{[(3R)-oxolan-3-yl]oxy}phenyl)methyl]phenyl}-beta-L-xylopyranoside chemical structure, C23H27ClO7, CAS 1018899-68-7
Methyl (5S)-5-{4-chloro-3-[(4-{[(3R)-oxolan-3-yl]oxy}phenyl)methyl]phenyl}-beta-L-xylopyranoside
CAS 1018899-68-7C23H27ClO7
Empagliflozin impurity 109 chemical structure, C31H35ClO12, CAS 2262435-19-6
Empagliflozin impurity 109
CAS 2262435-19-6C31H35ClO12
ent-Empagliflozin chemical structure, C23H27ClO7, CAS 2183480-92-2
ent-Empagliflozin
CAS 2183480-92-2C23H27ClO7
Empagliflozin acetate chemical structure, C25H29ClO8, CAS 2452301-09-4
Empagliflozin acetate
CAS 2452301-09-4C25H29ClO8
Empagliflozin I+--anomer chemical structure, C23H27ClO7, CAS 1620758-33-9
Empagliflozin I+--anomer
CAS 1620758-33-9C23H27ClO7
1-Methoxy-empagliflozin tetraacetoxy chemical structure, C32H37ClO12, CAS 1620758-21-5
1-Methoxy-empagliflozin tetraacetoxy
CAS 1620758-21-5C32H37ClO12
Empagliflozin-d4 chemical structure, C23H27ClO7, CAS 2749293-95-4
Empagliflozin-d4
CAS 2749293-95-4C23H27ClO7
Empagliflozin impurity 17 chemical structure, C23H28O7, CAS 2452301-27-6
Empagliflozin impurity 17
CAS 2452301-27-6C23H28O7
(2R,3R,4R,5S,6R)-2-(4-Chloro-3-(4-(((R)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol chemical structure, C23H27ClO7, CAS 2452301-42-5
(2R,3R,4R,5S,6R)-2-(4-Chloro-3-(4-(((R)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CAS 2452301-42-5C23H27ClO7
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(hydroxy(4-(((S)-tetrahydrofuran-3-yl)oxy)phenyl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol chemical structure, C23H27ClO8, CAS 2137418-13-2
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(hydroxy(4-(((S)-tetrahydrofuran-3-yl)oxy)phenyl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CAS 2137418-13-2C23H27ClO8
4-(3-Tetrahydrofuranyl-oxy)phenylmethoxy-2-methoxy Empagliflozin chemical structure, C25H31ClO9, CAS 1800196-50-2
4-(3-Tetrahydrofuranyl-oxy)phenylmethoxy-2-methoxy Empagliflozin
CAS 1800196-50-2C25H31ClO9
Empagliflozin impurity 24 chemical structure, C23H27ClO7, CAS 2452301-28-7
Empagliflozin impurity 24
CAS 2452301-28-7C23H27ClO7
(2R,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-(4-iodo-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol chemical structure, C23H27IO7, CAS 2452301-33-4
(2R,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-(4-iodo-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
CAS 2452301-33-4C23H27IO7