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Murcko scaffold

Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene scaffold

18 chemicals on CompoundList share this ring system.

Rings
9
Scaffold atoms
56
Chemicals
18
With full pages
3
Scaffold SMILES

c1cc2cc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)C2

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 scaffoldOpen the Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene page
Murcko scaffold c1cc2cc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)C2

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 18 of 18 chemicals

4-tert-Butylcalix[8]arene chemical structure, C88H112O8, CAS 68971-82-4
4-tert-Butylcalix[8]arene
CAS 68971-82-4C88H112O8
4-Sulfocalix(8)arene chemical structure, C56H48O32S8, CAS 137407-62-6
4-Sulfocalix(8)arene
CAS 137407-62-6C56H48O32S8
Calix(8)arene chemical structure, C56H48O8, CAS 82452-93-5
Calix(8)arene
CAS 82452-93-5C56H48O8
5,11,17,23,29,35,41,47-Octa(propan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol chemical structure, C80H96O8, CAS 98013-94-6
5,11,17,23,29,35,41,47-Octa(propan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CAS 98013-94-6C80H96O8
5,11,17,23,29,35,41,47-Octakis(2-methylbutan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol chemical structure, C96H128O8, CAS 93503-77-6
5,11,17,23,29,35,41,47-Octakis(2-methylbutan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CAS 93503-77-6C96H128O8
Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene chemical structure, C56H48, CAS 82040-66-2
Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene
CAS 82040-66-2C56H48
Calix[8]hydroquinone chemical structure, C56H48O16, CAS 182810-01-1
Calix[8]hydroquinone
CAS 182810-01-1C56H48O16
4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester chemical structure, C120H160O24, CAS 92003-63-9
4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester
CAS 92003-63-9C120H160O24
Bis-[4-tert-Butyl-2-[5-tert-butyl-3-(5-tert-butyl-2-carboxymethoxy-benzyl)-2-carboxymethoxy-benzyl]-6-(5-tert-butyl-2-carboxymethoxy-benzyl)-phenoxy]-acetic acid chemical structure, C104H128O24, CAS 116851-59-3
Bis-[4-tert-Butyl-2-[5-tert-butyl-3-(5-tert-butyl-2-carboxymethoxy-benzyl)-2-carboxymethoxy-benzyl]-6-(5-tert-butyl-2-carboxymethoxy-benzyl)-phenoxy]-acetic acid
CAS 116851-59-3C104H128O24
4-tert-Butylcalix[8]arene octa-N-propyl ether chemical structure, C112H160O8, CAS 628304-60-9
4-tert-Butylcalix[8]arene octa-N-propyl ether
CAS 628304-60-9C112H160O8
4-Sulfocalix[8]arene Hydrate chemical structure, C56H50O33S8, CAS 844478-23-5
4-Sulfocalix[8]arene Hydrate
CAS 844478-23-5C56H50O33S8
15,35,55,75,95,115,135,155-Octaamino-1,3,5,7,9,11,13,15(1,3)-octabenzenacyclohexadecaphan-12,32,52,72,92,112,132,152-octaol chemical structure, C56H56N8O8, CAS 1422643-82-0
15,35,55,75,95,115,135,155-Octaamino-1,3,5,7,9,11,13,15(1,3)-octabenzenacyclohexadecaphan-12,32,52,72,92,112,132,152-octaol
CAS 1422643-82-0C56H56N8O8
49,50,51,52,53,54,55,56-Octapropoxycalix[8]arene chemical structure, C80H96O8, CAS 166890-43-3
49,50,51,52,53,54,55,56-Octapropoxycalix[8]arene
CAS 166890-43-3C80H96O8
3-Chloropropyloxyhydroxycalix[8]arene chemical structure, C80H88Cl8O16, CAS 1005158-97-3
3-Chloropropyloxyhydroxycalix[8]arene
CAS 1005158-97-3C80H88Cl8O16
4-Chlorobutyloxyhydroxycalix[8]arene chemical structure, C88H104Cl8O16, CAS 2247907-08-8
4-Chlorobutyloxyhydroxycalix[8]arene
CAS 2247907-08-8C88H104Cl8O16
3-(Diethylphosphonyl)propyloxyhydroxycalix[8]arene chemical structure, C112H168O40P8, CAS 3032953-42-4
3-(Diethylphosphonyl)propyloxyhydroxycalix[8]arene
CAS 3032953-42-4C112H168O40P8
4-(Acetylthio)butyloxyhydroxycalix[8]arene chemical structure, C104H128O24S8, CAS 2250046-53-6
4-(Acetylthio)butyloxyhydroxycalix[8]arene
CAS 2250046-53-6C104H128O24S8
Sodium 12,32,52,72,92,112,132,152-octahydroxy-1,3,5,7,9,11,13,15(1,3)-octabenzenacyclohexadecaphan-15,35,55,75,95,115,135,155-octasulfonate chemical structure, C56H40Na8O32S8, CAS 105190-41-8
Sodium 12,32,52,72,92,112,132,152-octahydroxy-1,3,5,7,9,11,13,15(1,3)-octabenzenacyclohexadecaphan-15,35,55,75,95,115,135,155-octasulfonate
CAS 105190-41-8C56H40Na8O32S8