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Murcko scaffold

Ring system with 4 rings and 21 atoms

19 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
19
With full pages
4
Scaffold SMILES

c1ccc(Cc2cccc(C34CCCC(CO3)O4)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(C34CCCC(CO3)O4)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 19 of 19 chemicals

Ertugliflozin chemical structure, C22H25ClO7, CAS 1210344-57-2
Ertugliflozin
CAS 1210344-57-2C22H25ClO7
1,6-Anhydro-1-C-(4-chloro-3-((R)-(4-ethoxyphenyl)hydroxymethyl)phenyl)-5-C-(hydroxymethyl)-beta-L-idopyranose chemical structure, C22H25ClO8, CAS 1298086-33-5
1,6-Anhydro-1-C-(4-chloro-3-((R)-(4-ethoxyphenyl)hydroxymethyl)phenyl)-5-C-(hydroxymethyl)-beta-L-idopyranose
CAS 1298086-33-5C22H25ClO8
(1r,2s,3s,4r,5s)-1-(Acetoxymethyl)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate chemical structure, C30H33ClO11, CAS 1298086-18-6
(1r,2s,3s,4r,5s)-1-(Acetoxymethyl)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate
CAS 1298086-18-6C30H33ClO11
Ertugliflozin impurity 11 chemical structure, C24H27ClO8, CAS 1298086-20-0
Ertugliflozin impurity 11
CAS 1298086-20-0C24H27ClO8
Ertugliflozin-d5 chemical structure, C22H25ClO7, CAS 1298086-22-2
Ertugliflozin-d5
CAS 1298086-22-2C22H25ClO7
(1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)phenyl]-1-(hydroxymethyl)-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol chemical structure, C21H23ClO7, CAS 1210344-55-0
(1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)phenyl]-1-(hydroxymethyl)-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol
CAS 1210344-55-0C21H23ClO7
Ertugliflozin tetraol chemical structure, C22H25ClO7, CAS 1210344-58-3
Ertugliflozin tetraol
CAS 1210344-58-3C22H25ClO7
Henagliflozin chemical structure, C22H24ClFO7, CAS 1623804-44-3
Henagliflozin
CAS 1623804-44-3C22H24ClFO7
Ertugliflozin pidolate chemical structure, C27H32ClNO10, CAS 1210344-83-4
Ertugliflozin pidolate
CAS 1210344-83-4C27H32ClNO10
(1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-hydroxy-benzyl)-phenyl]-1-hydroxymethyl-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol chemical structure, C20H21ClO7, CAS 1298086-17-5
(1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-hydroxy-benzyl)-phenyl]-1-hydroxymethyl-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol
CAS 1298086-17-5C20H21ClO7
1,6-Anhydro-1-C-(4-chloro-3-((S)-(4-ethoxyphenyl)hydroxymethyl)phenyl)-5-C-(hydroxymethyl)-beta-L-idopyranose chemical structure, C22H25ClO8, CAS 1298086-34-6
1,6-Anhydro-1-C-(4-chloro-3-((S)-(4-ethoxyphenyl)hydroxymethyl)phenyl)-5-C-(hydroxymethyl)-beta-L-idopyranose
CAS 1298086-34-6C22H25ClO8
Ertugliflozin impurity 9 chemical structure, C22H25ClO8, CAS 1298086-28-8
Ertugliflozin impurity 9
CAS 1298086-28-8C22H25ClO8
Hsk0935 (hsk-0935 chemical structure, C22H25ClO7, CAS 1638851-44-1
Hsk0935 (hsk-0935
CAS 1638851-44-1C22H25ClO7
(1S,2S,3S,4R,5S)-5-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid chemical structure, C22H23ClO8, CAS 1689522-89-1
(1S,2S,3S,4R,5S)-5-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
CAS 1689522-89-1C22H23ClO8
Olorigliflozin chemical structure, C23H27ClO7, CAS 2035989-50-3
Olorigliflozin
CAS 2035989-50-3C23H27ClO7
(1R,2R,3R,4S,5R)-5-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol chemical structure, C22H25ClO7, CAS 2242891-20-7
(1R,2R,3R,4S,5R)-5-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
CAS 2242891-20-7C22H25ClO7
Ertugliflozin tetrapropionate chemical structure, C34H41ClO11, CAS 2755949-10-9
Ertugliflozin tetrapropionate
CAS 2755949-10-9C34H41ClO11
Rongliflozin L-pyroglutamic acid chemical structure, C28H34ClNO10, CAS 2098617-06-0
Rongliflozin L-pyroglutamic acid
CAS 2098617-06-0C28H34ClNO10
(1R,2S,3S,4R,5S)-5-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-[(1R)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol, (2S)-5-oxopyrrolidine-2-carboxylic acid, hydrate chemical structure, C28H36ClNO11, CAS 2648020-91-9
(1R,2S,3S,4R,5S)-5-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-[(1R)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol, (2S)-5-oxopyrrolidine-2-carboxylic acid, hydrate
CAS 2648020-91-9C28H36ClNO11