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Murcko scaffold

Ring system with 4 rings and 26 atoms

56 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
56
With full pages
6
Scaffold SMILES

O=C1C(CCCc2ccccc2)C(c2ccccc2)N1c1ccccc1

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(CCCc2ccccc2)C(c2ccccc2)N1c1ccccc1

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 56 chemicals

Sch 48461 chemical structure, C26H27NO3, CAS 148260-92-8
Sch 48461
CAS 148260-92-8C26H27NO3
Ezetimibe chemical structure, C24H21F2NO3, CAS 163222-33-1
Ezetimibe
CAS 163222-33-1C24H21F2NO3
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one chemical structure, C24H21F2NO3, CAS 439081-02-4
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
CAS 439081-02-4C24H21F2NO3
trans-1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one chemical structure, C24H21F2NO3, CAS 1228746-78-8
trans-1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
CAS 1228746-78-8C24H21F2NO3
Vytorin chemical structure, C49H59F2NO8, CAS 444313-53-5
Vytorin
CAS 444313-53-5C49H59F2NO8
Desfluoro ezetimibe, (3'S,3R,4S)- chemical structure, C24H22FNO3, CAS 190595-66-5
Desfluoro ezetimibe, (3'S,3R,4S)-
CAS 190595-66-5C24H22FNO3
Canosimibe chemical structure, C44H60FN3O10, CAS 768394-99-6
Canosimibe
CAS 768394-99-6C44H60FN3O10
(3R,4R)-1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one chemical structure, C26H27NO3, CAS 149250-40-8
(3R,4R)-1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CAS 149250-40-8C26H27NO3
(3S,4S)-1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one chemical structure, C26H27NO3, CAS 148260-85-9
(3S,4S)-1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CAS 148260-85-9C26H27NO3
3-Dehydroxy ezetimibe chemical structure, C24H21F2NO2, CAS 204589-58-2
3-Dehydroxy ezetimibe
CAS 204589-58-2C24H21F2NO2
[4-[(2S,3R)-3-[(3R)-3-Acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenyl] acetate chemical structure, C28H25F2NO5, CAS 163380-20-9
[4-[(2S,3R)-3-[(3R)-3-Acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenyl] acetate
CAS 163380-20-9C28H25F2NO5
Ezetimibe diacetate chemical structure, C28H25F2NO5
Ezetimibe diacetate
C28H25F2NO5
(3R,4S)-1-(4-Fluorophenyl)-3-((3R)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-2-azetidinone chemical structure, C24H21F2NO3, CAS 163380-16-3
(3R,4S)-1-(4-Fluorophenyl)-3-((3R)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-2-azetidinone
CAS 163380-16-3C24H21F2NO3
(3R,4S)-4-(4-Hydroxyphenyl)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1-(4-methoxyphenyl)-2-azetidinone chemical structure, C25H25NO4, CAS 163380-26-5
(3R,4S)-4-(4-Hydroxyphenyl)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1-(4-methoxyphenyl)-2-azetidinone
CAS 163380-26-5C25H25NO4
(3S,4R)-4-(4-Methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one chemical structure, C25H25NO2, CAS 162992-75-8
(3S,4R)-4-(4-Methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CAS 162992-75-8C25H25NO2
Ezetimibe-13C6 chemical structure, C24H21F2NO3, CAS 438624-68-1
Ezetimibe-13C6
CAS 438624-68-1C24H21F2NO3
(3R,4S)-3-((S)-3-((tert-Butyldimethylsilyl)oxy)-3-(4-fluorophenyl)propyl)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one chemical structure, C30H35F2NO3Si, CAS 795306-57-9
(3R,4S)-3-((S)-3-((tert-Butyldimethylsilyl)oxy)-3-(4-fluorophenyl)propyl)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one
CAS 795306-57-9C30H35F2NO3Si
(3R,4S)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-((trimethylsilyl)oxy)propyl)-4-(4-((trimethylsilyl)oxy)phenyl)azetidin-2-one chemical structure, C30H37F2NO3Si2, CAS 272778-13-9
(3R,4S)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-((trimethylsilyl)oxy)propyl)-4-(4-((trimethylsilyl)oxy)phenyl)azetidin-2-one
CAS 272778-13-9C30H37F2NO3Si2
(3R,4S)-1-[4-(Aminomethyl)phenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-methoxyphenyl)-2-azetidinone chemical structure, C26H27FN2O3, CAS 768394-93-0
(3R,4S)-1-[4-(Aminomethyl)phenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-methoxyphenyl)-2-azetidinone
CAS 768394-93-0C26H27FN2O3
(3R,4S)-4-(4-Methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one chemical structure, C25H25NO2
(3R,4S)-4-(4-Methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
C25H25NO2
4-(4-Methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one chemical structure, C25H25NO2, CAS 628292-07-9
4-(4-Methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CAS 628292-07-9C25H25NO2
1-(4-Fluorophenyl)-3-[1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propyl acetate chemical structure, C26H23F2NO4, CAS 190448-46-5
1-(4-Fluorophenyl)-3-[1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propyl acetate
CAS 190448-46-5C26H23F2NO4
(3R,4S)-4-(4-((tert-Butyldimethylsilyl)oxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one chemical structure, C30H35F2NO3Si, CAS 942485-60-1
(3R,4S)-4-(4-((tert-Butyldimethylsilyl)oxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
CAS 942485-60-1C30H35F2NO3Si
Ezetimibe-d4 chemical structure, C24H21F2NO3, CAS 1093659-90-5
Ezetimibe-d4
CAS 1093659-90-5C24H21F2NO3