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Murcko scaffold

Ring system with 4 rings and 23 atoms

19 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
19
With full pages
5
Scaffold SMILES

c1ccc(CCNc2ncc3ncn(C4CCCO4)c3n2)cc1

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 c1ccc(CCNc2ncc3ncn(C4CCCO4)c3n2)cc1

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 19 of 19 chemicals

3-[4-[2-[[6-Amino-9-[(3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid chemical structure, C23H29N7O6
3-[4-[2-[[6-Amino-9-[(3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
C23H29N7O6
2-Phenethylamino-5'-N-ethylcarboxamidoadenosine chemical structure, C20H25N7O4, CAS 120225-53-8
2-Phenethylamino-5'-N-ethylcarboxamidoadenosine
CAS 120225-53-8C20H25N7O4
2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine chemical structure, C18H22IN7O4, CAS 161536-31-8
2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine
CAS 161536-31-8C18H22IN7O4
2-((2-Aminoethylamino)carbonylethylphenylethylamino)-5'-N-ethylcarboxamidoadenosine chemical structure, C25H35N9O5, CAS 126828-50-0
2-((2-Aminoethylamino)carbonylethylphenylethylamino)-5'-N-ethylcarboxamidoadenosine
CAS 126828-50-0C25H35N9O5
CGS 21680C chemical structure, C23H29N7NaO6+
CGS 21680C
C23H29N7NaO6+
Cgs 21680 chemical structure, C23H29N7O6, CAS 120225-54-9
Cgs 21680
CAS 120225-54-9C23H29N7O6
CGS 21680 Hydrochloride chemical structure, C23H30ClN7O6, CAS 124431-80-7
CGS 21680 Hydrochloride
CAS 124431-80-7C23H30ClN7O6
Adenosine, 2-[[2-(4-aminophenyl)ethyl]amino]- chemical structure, C18H23N7O4, CAS 161536-30-7
Adenosine, 2-[[2-(4-aminophenyl)ethyl]amino]-
CAS 161536-30-7C18H23N7O4
(2S,3S,4R,5R)-5-(6-Amino-2-{[2-(4-fluorophenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide chemical structure, C20H24FN7O4, CAS 120225-58-3
(2S,3S,4R,5R)-5-(6-Amino-2-{[2-(4-fluorophenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CAS 120225-58-3C20H24FN7O4
1-[6-Amino-2-[[2-(4-methoxyphenyl)ethyl]amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-|A-D-ribofuranuronamide chemical structure, C21H27N7O5, CAS 120225-56-1
1-[6-Amino-2-[[2-(4-methoxyphenyl)ethyl]amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-|A-D-ribofuranuronamide
CAS 120225-56-1C21H27N7O5
CGS 21680C Sodium Salt chemical structure, C23H28N7NaO6, CAS 120225-64-1
CGS 21680C Sodium Salt
CAS 120225-64-1C23H28N7NaO6
3-(4-(2-((6-Amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-furan-2-yl)-9H-purin-2-yl)amino)ethyl)phenyl)propanoic acid hydrochloride chemical structure, C23H30ClN7O6, CAS 124182-57-6
3-(4-(2-((6-Amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-furan-2-yl)-9H-purin-2-yl)amino)ethyl)phenyl)propanoic acid hydrochloride
CAS 124182-57-6C23H30ClN7O6
3-[4-[2-[[6-Amino-9-[(2R,3S,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid chemical structure, C23H29N7O6
3-[4-[2-[[6-Amino-9-[(2R,3S,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
C23H29N7O6
3-[4-[2-[[6-Amino-9-[(3R,4S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid chemical structure, C23H29N7O6
3-[4-[2-[[6-Amino-9-[(3R,4S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
C23H29N7O6
CGS 21680C Sodium Salt chemical structure, C23H29N7NaO6
CGS 21680C Sodium Salt
C23H29N7NaO6
3-[4-[2-[[6-Amino-9-[(2R,3S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid chemical structure, C23H29N7O6
3-[4-[2-[[6-Amino-9-[(2R,3S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
C23H29N7O6
Cgs21680 hydrochloride hydrate chemical structure, C23H32ClN7O7
Cgs21680 hydrochloride hydrate
C23H32ClN7O7
CGS-21680 hydrochloride hydrate chemical structure, C23H30ClN7O6
CGS-21680 hydrochloride hydrate
C23H30ClN7O6
A-D-Ribofuranuronamide, 1-[6-amino-2-[[2-[4-[3-[(2-aminoethyl)amino]-3-oxopropyl]phenyl]ethyl]amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-, monohydrochloride chemical structure, C25H36ClN9O5, CAS 185386-40-7
A-D-Ribofuranuronamide, 1-[6-amino-2-[[2-[4-[3-[(2-aminoethyl)amino]-3-oxopropyl]phenyl]ethyl]amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-, monohydrochloride
CAS 185386-40-7C25H36ClN9O5