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Murcko scaffold

Ring system with 3 rings and 17 atoms

126 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
126
With full pages
39
Scaffold SMILES

O=C(OC1CC2CCC(C1)N2)c1ccccc1

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(OC1CC2CCC(C1)N2)c1ccccc1

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 126 chemicals

8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate chemical structure, C15H17Cl2NO2, CAS 329912-91-6
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate
CAS 329912-91-6C15H17Cl2NO2
3-(Benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid chemical structure, C16H19NO4, CAS 1130667-83-2
3-(Benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid
CAS 1130667-83-2C16H19NO4
Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate chemical structure, C17H21NO4, CAS 21030-42-2
Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS 21030-42-2C17H21NO4
Benzoyltropein chemical structure, C15H19NO2, CAS 16052-34-9
Benzoyltropein
CAS 16052-34-9C15H19NO2
Agn-PC-0jklon chemical structure, C16H21NO3, CAS 22194-33-8
Agn-PC-0jklon
CAS 22194-33-8C16H21NO3
Tropanserin hydrochloride chemical structure, C17H24ClNO2, CAS 85181-38-0
Tropanserin hydrochloride
CAS 85181-38-0C17H24ClNO2
Tropanserin chemical structure, C17H23NO2, CAS 85181-40-4
Tropanserin
CAS 85181-40-4C17H23NO2
8-Azoniabicyclo(3.2.1)octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)- chemical structure, C18H24INO4, CAS 5937-29-1
8-Azoniabicyclo(3.2.1)octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-
CAS 5937-29-1C18H24INO4
N-Methylcocaine cation chemical structure, C18H24NO4+, CAS 133097-15-1
N-Methylcocaine cation
CAS 133097-15-1C18H24NO4+
Cocaine allylbromide chemical structure, C20H26BrNO4, CAS 21416-05-7
Cocaine allylbromide
CAS 21416-05-7C20H26BrNO4
O-Benzoyltropine hydrochloride chemical structure, C15H20ClNO2, CAS 55623-27-3
O-Benzoyltropine hydrochloride
CAS 55623-27-3C15H20ClNO2
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3S,5S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) chemical structure, C21H27NO10, CAS 1176-03-0
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3S,5S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
CAS 1176-03-0C21H27NO10
Benzoylnorecgonine chemical structure, C15H17NO4, CAS 41889-45-6
Benzoylnorecgonine
CAS 41889-45-6C15H17NO4
TEC solution chemical structure, C41H58N4O9, CAS 82824-07-5
TEC solution
CAS 82824-07-5C41H58N4O9
Methyl (1R,2R,3S,5S)-3-((4-fluorobenzoyl)oxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate chemical structure, C17H20FNO4, CAS 134507-62-3
Methyl (1R,2R,3S,5S)-3-((4-fluorobenzoyl)oxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate
CAS 134507-62-3C17H20FNO4
Norcocaethylene chemical structure, C17H21NO4, CAS 137220-02-1
Norcocaethylene
CAS 137220-02-1C17H21NO4
N-Allylnorcocaine chemical structure, C19H23NO4, CAS 66964-29-2
N-Allylnorcocaine
CAS 66964-29-2C19H23NO4
N-Allylnorcocaine hydrochloride chemical structure, C19H24ClNO4, CAS 69610-27-1
N-Allylnorcocaine hydrochloride
CAS 69610-27-1C19H24ClNO4
N-Dimethylallylnorcocaine HCl chemical structure, C21H28ClNO4, CAS 69700-35-2
N-Dimethylallylnorcocaine HCl
CAS 69700-35-2C21H28ClNO4
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-,methyl ester, 8-oxide, (1R,2R,3S,5S)- chemical structure, C17H21NO5, CAS 72182-46-8
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-,methyl ester, 8-oxide, (1R,2R,3S,5S)-
CAS 72182-46-8C17H21NO5
Cocaine hydrochloride mixture with menthol and phenol chemical structure, C33H48ClNO6, CAS 8053-92-7
Cocaine hydrochloride mixture with menthol and phenol
CAS 8053-92-7C33H48ClNO6
Benzoylnorecgonine hydrochloride chemical structure, C15H18ClNO4
Benzoylnorecgonine hydrochloride
C15H18ClNO4
4'-Iodococaine chemical structure, C17H20INO4, CAS 141120-39-0
4'-Iodococaine
CAS 141120-39-0C17H20INO4
Methyl (1R,2R,3R,5S,7R)-3-(benzoyloxy)-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate chemical structure, C18H23NO5, CAS 152231-27-1
Methyl (1R,2R,3R,5S,7R)-3-(benzoyloxy)-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS 152231-27-1C18H23NO5