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Murcko scaffold

Ring system with 3 rings and 19 atoms

99 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
99
With full pages
12
Scaffold SMILES

c1ccc(Cc2cccc(C3CCCCO3)c2)cc1

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 c1ccc(Cc2cccc(C3CCCCO3)c2)cc1

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 48 of 99 chemicals

(2s,3r,4r,5s,6r)-2-(4-Chloro-3-(4-methoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol chemical structure, C20H23ClO6, CAS 333359-90-3
(2s,3r,4r,5s,6r)-2-(4-Chloro-3-(4-methoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CAS 333359-90-3C20H23ClO6
Dapagliflozin chemical structure, C21H25ClO6, CAS 461432-26-8
Dapagliflozin
CAS 461432-26-8C21H25ClO6
(3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol chemical structure, C22H27ClO7, CAS 461432-24-6
(3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
CAS 461432-24-6C22H27ClO7
Dapagliflozin impurity B chemical structure, C21H25ClO7, CAS 461432-27-9
Dapagliflozin impurity B
CAS 461432-27-9C21H25ClO7
(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-[4-chloro-3-(4-ethoxybenzyl)phenyl]tetrahydro-2H-pyran-3,4,5-triyl triacetate chemical structure, C29H33ClO10, CAS 461432-25-7
(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-[4-chloro-3-(4-ethoxybenzyl)phenyl]tetrahydro-2H-pyran-3,4,5-triyl triacetate
CAS 461432-25-7C29H33ClO10
D-Glucopyranoside, Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-, tetraacetate chemical structure, C30H35ClO11, CAS 461432-28-0
D-Glucopyranoside, Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-, tetraacetate
CAS 461432-28-0C30H35ClO11
(3R,4S,5S,6R)-2-(4-Chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol chemical structure, C20H23ClO7, CAS 912917-83-0
(3R,4S,5S,6R)-2-(4-Chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
CAS 912917-83-0C20H23ClO7
RefChem:907130 chemical structure, C27H38N2O10, CAS 957772-01-9
RefChem:907130
CAS 957772-01-9C27H38N2O10
(2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol chemical structure, C22H27ClO7, CAS 714269-57-5
(2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
CAS 714269-57-5C22H27ClO7
Sotagliflozin chemical structure, C21H25ClO5S, CAS 1018899-04-1
Sotagliflozin
CAS 1018899-04-1C21H25ClO5S
Dapagliflozin propanediol chemical structure, C24H35ClO9, CAS 960404-48-2
Dapagliflozin propanediol
CAS 960404-48-2C24H35ClO9
alpha-D-Glucopyranoside, methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, compd. with 2-butyne-1,4-diol (1:1) chemical structure, C26H33ClO9, CAS 960404-59-5
alpha-D-Glucopyranoside, methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, compd. with 2-butyne-1,4-diol (1:1)
CAS 960404-59-5C26H33ClO9
Dapagliflozin diproline chemical structure, C31H43ClN2O10, CAS 960404-62-0
Dapagliflozin diproline
CAS 960404-62-0C31H43ClN2O10
Dapagliflozin propanediol anhydrous chemical structure, C24H33ClO8, CAS 1971128-01-4
Dapagliflozin propanediol anhydrous
CAS 1971128-01-4C24H33ClO8
(2S,3R,4R,5S)-2-[4-Chloro-3-(4-ethoxy-benzyl)-phenyl]-6-ethoxy-tetrahydro-pyran-3,4,5-triol chemical structure, C22H27ClO6, CAS 1192136-24-5
(2S,3R,4R,5S)-2-[4-Chloro-3-(4-ethoxy-benzyl)-phenyl]-6-ethoxy-tetrahydro-pyran-3,4,5-triol
CAS 1192136-24-5C22H27ClO6
4-(2-Chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)benzonitrile chemical structure, C20H20ClNO5, CAS 946525-40-2
4-(2-Chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)benzonitrile
CAS 946525-40-2C20H20ClNO5
(2S,3R,4R,5S)-2-[4-Chloro-3-(4-hydroxy-benzyl)-phenyl]-6-methoxy-tetrahydro-pyran-3,4,5-triol chemical structure, C19H21ClO6, CAS 1018898-94-6
(2S,3R,4R,5S)-2-[4-Chloro-3-(4-hydroxy-benzyl)-phenyl]-6-methoxy-tetrahydro-pyran-3,4,5-triol
CAS 1018898-94-6C19H21ClO6
Sotagliflozin impurity 6 chemical structure, C21H25ClO6, CAS 1018898-76-4
Sotagliflozin impurity 6
CAS 1018898-76-4C21H25ClO6
Bms-511926 chemical structure, C19H21ClO6, CAS 864070-37-1
Bms-511926
CAS 864070-37-1C19H21ClO6
(1S)-1,5-Anhydro-1-(4-chloro-3-((4-((~2~H_5_)ethyloxy)phenyl)methyl)phenyl)-D-glucitol chemical structure, C21H25ClO6, CAS 1204219-80-6
(1S)-1,5-Anhydro-1-(4-chloro-3-((4-((~2~H_5_)ethyloxy)phenyl)methyl)phenyl)-D-glucitol
CAS 1204219-80-6C21H25ClO6
Orb1708539 chemical structure, C37H55N3O8, CAS 1240305-17-2
Orb1708539
CAS 1240305-17-2C37H55N3O8
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate chemical structure, C30H35ClO11, CAS 714269-58-6
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate
CAS 714269-58-6C30H35ClO11
Descyclopropyl bexagliflozin chemical structure, C21H25ClO7, CAS 1327165-94-5
Descyclopropyl bexagliflozin
CAS 1327165-94-5C21H25ClO7
Descyclopropyl bexagliflozin carboxylic acid chemical structure, C21H23ClO8, CAS 1327165-97-8
Descyclopropyl bexagliflozin carboxylic acid
CAS 1327165-97-8C21H23ClO8