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Murcko scaffold

Ring system with 4 rings and 19 atoms

13 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
13
With full pages
4
Scaffold SMILES

c1cnn(-c2ncc3ncn(C4CCCO4)c3n2)c1

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 c1cnn(-c2ncc3ncn(C4CCCO4)c3n2)c1

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 13 of 13 chemicals

Regadenoson chemical structure, C15H18N8O5, CAS 313348-27-5
Regadenoson
CAS 313348-27-5C15H18N8O5
1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide chemical structure, C14H16N8O5, CAS 313348-35-5
1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide
CAS 313348-35-5C14H16N8O5
Regadenoson impurity 1 chemical structure, C14H15N7O6, CAS 313348-29-7
Regadenoson impurity 1
CAS 313348-29-7C14H15N7O6
1-(9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-(methylamino)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide chemical structure, C16H20N8O5, CAS 765299-55-6
1-(9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-(methylamino)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
CAS 765299-55-6C16H20N8O5
(1-{9-[(4s,2r,3r,5r)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-ethylcarboxamide chemical structure, C16H20N8O5, CAS 313348-33-3
(1-{9-[(4s,2r,3r,5r)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-ethylcarboxamide
CAS 313348-33-3C16H20N8O5
Ethyl 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate chemical structure, C16H19N7O6, CAS 313348-16-2
Ethyl 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate
CAS 313348-16-2C16H19N7O6
Regadenoson impurity 2 chemical structure, C16H20N8O5, CAS 313348-31-1
Regadenoson impurity 2
CAS 313348-31-1C16H20N8O5
2-(1H-Pyrazol-1-yl)adenosine chemical structure, C13H15N7O4, CAS 1627202-38-3
2-(1H-Pyrazol-1-yl)adenosine
CAS 1627202-38-3C13H15N7O4
Regadenoson hydrate chemical structure, C15H20N8O6, CAS 875148-45-1
Regadenoson hydrate
CAS 875148-45-1C15H20N8O6
2-(4-Methoxycarbonylpyrazol-1-yl)adenosine chemical structure, C15H17N7O6, CAS 1423073-21-5
2-(4-Methoxycarbonylpyrazol-1-yl)adenosine
CAS 1423073-21-5C15H17N7O6
1-Epi-regadenoson chemical structure, C15H18N8O5, CAS 2015222-31-6
1-Epi-regadenoson
CAS 2015222-31-6C15H18N8O5
1-Epi-regadenoson ethyl ester chemical structure, C16H19N7O6, CAS 2015222-44-1
1-Epi-regadenoson ethyl ester
CAS 2015222-44-1C16H19N7O6
Regadenoson impurity 72 chemical structure, C18H23N7O6, CAS 1055911-34-6
Regadenoson impurity 72
CAS 1055911-34-6C18H23N7O6