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Murcko scaffold

Ring system with 4 rings and 49 atoms

79 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
49
Chemicals
79
With full pages
12
Scaffold SMILES

O=C1CCC=CCC(=O)CC(CCC2CCCCC2)OC(=O)C2CCCCN2C(=O)C(=O)C2CCCC(CCC=CC=CC=CCCC1)O2

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=C1CCC=CCC(=O)CC(CCC2CCCCC2)OC(=O)C2CCCCN2C(=O)C(=O)C2CCCC(CCC=CC=CC=CCCC1)O2

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 79 chemicals

(RS)-Rapamycin chemical structure, C51H79NO13, CAS 253431-35-5
(RS)-Rapamycin
CAS 253431-35-5C51H79NO13
Sirolimus chemical structure, C51H79NO13, CAS 53123-88-9
Sirolimus
CAS 53123-88-9C51H79NO13
Demethoxyrapamycin chemical structure, C50H77NO12, CAS 83482-58-0
Demethoxyrapamycin
CAS 83482-58-0C50H77NO12
Everolimus chemical structure, C53H83NO14, CAS 159351-69-6
Everolimus
CAS 159351-69-6C53H83NO14
Temsirolimus chemical structure, C56H87NO16, CAS 162635-04-3
Temsirolimus
CAS 162635-04-3C56H87NO16
Rapamycin, 32-O-demethyl- chemical structure, C50H77NO13, CAS 141392-23-6
Rapamycin, 32-O-demethyl-
CAS 141392-23-6C50H77NO13
Novolimus chemical structure, C50H77NO13, CAS 151519-50-5
Novolimus
CAS 151519-50-5C50H77NO13
7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin chemical structure, C52H81NO14, CAS 745779-75-3
7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin
CAS 745779-75-3C52H81NO14
28-Epirapamycin (>90%) chemical structure, C51H79NO13
28-Epirapamycin (>90%)
C51H79NO13
Sirolimus impurity 2 chemical structure, C51H79NO13, CAS 157182-37-1
Sirolimus impurity 2
CAS 157182-37-1C51H79NO13
Biolimus A9 chemical structure, C55H87NO14, CAS 851536-75-9
Biolimus A9
CAS 851536-75-9C55H87NO14
Ridaforolimus chemical structure, C53H84NO14P, CAS 572924-54-0
Ridaforolimus
CAS 572924-54-0C53H84NO14P
US20250223297, Example RAD001 chemical structure, C53H83NO14, CAS 2093474-67-8
US20250223297, Example RAD001
CAS 2093474-67-8C53H83NO14
Temsirolimus metabolite M9 chemical structure, C56H87NO17, CAS 876060-66-1
Temsirolimus metabolite M9
CAS 876060-66-1C56H87NO17
Rapamycin-d3 chemical structure, C51H79NO13, CAS 392711-19-2
Rapamycin-d3
CAS 392711-19-2C51H79NO13
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-35-Ethyl-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone chemical structure, C52H81NO13
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-35-Ethyl-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
C52H81NO13
42-O-tert-Butyldimethylsilyloxyethyl-d4 Rapamycin chemical structure, C59H97NO14Si, CAS 1356839-88-7
42-O-tert-Butyldimethylsilyloxyethyl-d4 Rapamycin
CAS 1356839-88-7C59H97NO14Si
Everolimus-d4 chemical structure, C53H83NO14
Everolimus-d4
C53H83NO14
1,18-Dihydroxy-12-{1-[4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0,4,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone chemical structure, C53H83NO14, CAS 1807882-28-5
1,18-Dihydroxy-12-{1-[4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0,4,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CAS 1807882-28-5C53H83NO14
40-O-[2-(t-Butyldimethylsilyl)oxy]ethyl-rapamycin chemical structure, C59H97NO14Si, CAS 159351-68-5
40-O-[2-(t-Butyldimethylsilyl)oxy]ethyl-rapamycin
CAS 159351-68-5C59H97NO14Si
ATG 181 chemical structure, C58H95N2O17P
ATG 181
C58H95N2O17P
Everolimus-d4 (~90%) chemical structure, C53H83NO14, CAS 1338452-54-2
Everolimus-d4 (~90%)
CAS 1338452-54-2C53H83NO14
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18,19-Trihydroxy-12-[(2R)-1-(4-hydroxycyclohexyl)propan-2-yl]-30-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone chemical structure, C49H75NO12, CAS 909387-87-7
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18,19-Trihydroxy-12-[(2R)-1-(4-hydroxycyclohexyl)propan-2-yl]-30-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CAS 909387-87-7C49H75NO12
(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,18-Dihydroxy-19,30-dimethoxy-12-[(1R)-2-[(1S,3R,4R)-3-methoxy-4-(1,1,2,2-tetradeuterio-2-hydroxy-ethoxy)cyclohexyl]-1-methyl-ethyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone chemical structure, C53H83NO14
(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,18-Dihydroxy-19,30-dimethoxy-12-[(1R)-2-[(1S,3R,4R)-3-methoxy-4-(1,1,2,2-tetradeuterio-2-hydroxy-ethoxy)cyclohexyl]-1-methyl-ethyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
C53H83NO14