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Murcko scaffold

Ring system with 4 rings and 19 atoms

16 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
16
With full pages
1
Scaffold SMILES

c1ncc2nc(Sc3ccc4c(c3)OCO4)[nH]c2n1

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 c1ncc2nc(Sc3ccc4c(c3)OCO4)[nH]c2n1

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 16 of 16 chemicals

Zelavespib chemical structure, C18H21IN6O2S, CAS 873436-91-0
Zelavespib
CAS 873436-91-0C18H21IN6O2S
8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine chemical structure, C17H14BrN5O2S, CAS 852030-47-8
8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
CAS 852030-47-8C17H14BrN5O2S
8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)adenine chemical structure, C12H8BrN5O2S, CAS 852030-25-2
8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)adenine
CAS 852030-25-2C12H8BrN5O2S
8-((6-Iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine chemical structure, C12H8IN5O2S, CAS 873436-89-6
8-((6-Iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine
CAS 873436-89-6C12H8IN5O2S
8-(Benzo[d][1,3]dioxol-5-ylthio)-9H-purin-6-amine chemical structure, C12H9N5O2S, CAS 873436-88-5
8-(Benzo[d][1,3]dioxol-5-ylthio)-9H-purin-6-amine
CAS 873436-88-5C12H9N5O2S
8-(6-Iodobenzo[d][1,3]dioxol-5-ylthio)-9-(pent-4-ynyl)-9H-purin-6-amine chemical structure, C17H14IN5O2S, CAS 873436-90-9
8-(6-Iodobenzo[d][1,3]dioxol-5-ylthio)-9-(pent-4-ynyl)-9H-purin-6-amine
CAS 873436-90-9C17H14IN5O2S
Zelavespib monohydrochloride chemical structure, C18H22ClIN6O2S, CAS 2095432-24-7
Zelavespib monohydrochloride
CAS 2095432-24-7C18H22ClIN6O2S
6-Amino-8-((6-(iodo-124I)-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-9H-purine-9-propanamine chemical structure, C18H21IN6O2S, CAS 1352930-11-0
6-Amino-8-((6-(iodo-124I)-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-9H-purine-9-propanamine
CAS 1352930-11-0C18H21IN6O2S
PU-H71 hydrate chemical structure, C18H23IN6O3S, CAS 1215828-29-7
PU-H71 hydrate
CAS 1215828-29-7C18H23IN6O3S
Icapamespib chemical structure, C19H23IN6O2S, CAS 1000999-96-1
Icapamespib
CAS 1000999-96-1C19H23IN6O2S
9-(3-Aminopropyl)-8-((6-iodobenzo-[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine chemical structure, C15H15IN6O2S, CAS 1333155-97-7
9-(3-Aminopropyl)-8-((6-iodobenzo-[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine
CAS 1333155-97-7C15H15IN6O2S
Icapamespib I-124 chemical structure, C19H23IN6O2S, CAS 1450804-65-5
Icapamespib I-124
CAS 1450804-65-5C19H23IN6O2S
PU-H71 trihydrochloride chemical structure, C18H24Cl3IN6O2S, CAS 2108826-10-2
PU-H71 trihydrochloride
CAS 2108826-10-2C18H24Cl3IN6O2S
9-(3-Aminopropyl)-8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine 2,2,2-trifluoroacetate chemical structure, C17H16F3IN6O4S, CAS 2247849-68-7
9-(3-Aminopropyl)-8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine 2,2,2-trifluoroacetate
CAS 2247849-68-7C17H16F3IN6O4S
Zelavespib dihydrochloride chemical structure, C18H23Cl2IN6O2S, CAS 2249878-50-8
Zelavespib dihydrochloride
CAS 2249878-50-8C18H23Cl2IN6O2S
Icapamespib dihydrochloride chemical structure, C19H25Cl2IN6O2S, CAS 2267287-26-1
Icapamespib dihydrochloride
CAS 2267287-26-1C19H25Cl2IN6O2S