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Murcko scaffold

Ring system with 6 rings and 49 atoms

35 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
49
Chemicals
35
With full pages
10
Scaffold SMILES

O=C(CCN1CCc2ccccc2C1Cc1ccccc1)OCCCCCOC(=O)CCN1CCc2ccccc2C1Cc1ccccc1

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=C(CCN1CCc2ccccc2C1Cc1ccccc1)OCCCCCOC(=O)CCN1CCc2ccccc2C1Cc1ccccc1

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 35 of 35 chemicals

Atracurium chemical structure, C53H72N2O12+2, CAS 64228-79-1
Atracurium
CAS 64228-79-1C53H72N2O12+2
Atracurium besylate chemical structure, C65H82N2O18S2, CAS 64228-81-5
Atracurium besylate
CAS 64228-81-5C65H82N2O18S2
Cisatracurium besylate chemical structure, C65H82N2O18S2, CAS 96946-42-8
Cisatracurium besylate
CAS 96946-42-8C65H82N2O18S2
Cisatracurium chemical structure, C53H72N2O12+2, CAS 96946-41-7
Cisatracurium
CAS 96946-41-7C53H72N2O12+2
Atracurium, (1R,2R,1'R,2'S)-(+/-)- chemical structure, C53H72N2O12+2, CAS 1599467-96-5
Atracurium, (1R,2R,1'R,2'S)-(+/-)-
CAS 1599467-96-5C53H72N2O12+2
Cistracurium besylate impurity 2 chemical structure, C53H72N2O12+2, CAS 96946-55-3
Cistracurium besylate impurity 2
CAS 96946-55-3C53H72N2O12+2
1,5-Pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] chemical structure, C51H66N2O12, CAS 64228-77-9
1,5-Pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
CAS 64228-77-9C51H66N2O12
Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate chemical structure, C55H70N2O20, CAS 64228-78-0
Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate
CAS 64228-78-0C55H70N2O20
Atracurium mesylate chemical structure, C55H78N2O18S2, CAS 64228-80-4
Atracurium mesylate
CAS 64228-80-4C55H78N2O18S2
2,2'-(1,5-Pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium) diiodide chemical structure, C53H72I2N2O12, CAS 64493-21-6
2,2'-(1,5-Pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium) diiodide
CAS 64493-21-6C53H72I2N2O12
Atracurium EP impurity A chemical structure, C52H69N2O12+, CAS 87046-74-0
Atracurium EP impurity A
CAS 87046-74-0C52H69N2O12+
2,2'-((Pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) chloride chemical structure, C53H72Cl2N2O12, CAS 110817-21-5
2,2'-((Pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) chloride
CAS 110817-21-5C53H72Cl2N2O12
Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), diformate chemical structure, C53H70N2O16, CAS 94113-28-7
Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), diformate
CAS 94113-28-7C53H70N2O16
Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dicitrate chemical structure, C63H82N2O26, CAS 94094-43-6
Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dicitrate
CAS 94094-43-6C63H82N2O26
Atracurium besylate, (1R,2R,1'S,2'S)- chemical structure, C65H82N2O18S2, CAS 96946-50-8
Atracurium besylate, (1R,2R,1'S,2'S)-
CAS 96946-50-8C65H82N2O18S2
(1R,2R,1'S,2'S)-Atracurium chemical structure, C53H72N2O12+2, CAS 96946-49-5
(1R,2R,1'S,2'S)-Atracurium
CAS 96946-49-5C53H72N2O12+2
(R,R)-N,N'-Didemethyl atracurium chemical structure, C51H66N2O12, CAS 64228-84-8
(R,R)-N,N'-Didemethyl atracurium
CAS 64228-84-8C51H66N2O12
RefChem:529721 chemical structure, C54H74N2O12+2, CAS 1193104-81-2
RefChem:529721
CAS 1193104-81-2C54H74N2O12+2
Atracurium impurity 11 chemical structure, C54H74N2O12+2, CAS 1193104-79-8
Atracurium impurity 11
CAS 1193104-79-8C54H74N2O12+2
Atracurium, (1S,2R,1'S,2'R)-(+/-)- chemical structure, C53H72N2O12+2, CAS 1599467-98-7
Atracurium, (1S,2R,1'S,2'R)-(+/-)-
CAS 1599467-98-7C53H72N2O12+2
Atracurium besylate, (1R,2R,1'S,2'R)-(+/-)- chemical structure, C65H82N2O18S2, CAS 155976-49-1
Atracurium besylate, (1R,2R,1'S,2'R)-(+/-)-
CAS 155976-49-1C65H82N2O18S2
Atracurium, (1R,2R,1'S,2'R)-(+/-)- chemical structure, C53H72N2O12+2, CAS 112242-41-8
Atracurium, (1R,2R,1'S,2'R)-(+/-)-
CAS 112242-41-8C53H72N2O12+2
2(1H)-Isoquinolinepropanoic acid, 1-((3,4-dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxy-, 1,1'-(1,5-pentanediyl) ester, (1R,1'R)-(-)-, ethanedioate (1:2) chemical structure, C55H70N2O20, CAS 96687-52-4
2(1H)-Isoquinolinepropanoic acid, 1-((3,4-dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxy-, 1,1'-(1,5-pentanediyl) ester, (1R,1'R)-(-)-, ethanedioate (1:2)
CAS 96687-52-4C55H70N2O20
Atracurium besylate, (1S,2R,1'S,2'R)-(+/-)- chemical structure, C65H82N2O18S2, CAS 1599467-99-8
Atracurium besylate, (1S,2R,1'S,2'R)-(+/-)-
CAS 1599467-99-8C65H82N2O18S2