CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 21 atoms

18 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
18
With full pages
2
Scaffold SMILES

c1ccc(Nc2ncnc3c2ncn3C2CCCO2)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(Nc2ncnc3c2ncn3C2CCCO2)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 18 of 18 chemicals

N(6)-Phenyladenosine chemical structure, C16H17N5O4, CAS 23589-16-4
N(6)-Phenyladenosine
CAS 23589-16-4C16H17N5O4
N-(4-Hydroxyphenyl)-1-isopropyladenosine chemical structure, C19H23N5O5, CAS 84930-20-1
N-(4-Hydroxyphenyl)-1-isopropyladenosine
CAS 84930-20-1C19H23N5O5
N(6)-Phenyl-N(6)-allyladenosine chemical structure, C19H21N5O4, CAS 71735-91-6
N(6)-Phenyl-N(6)-allyladenosine
CAS 71735-91-6C19H21N5O4
N-(4-Methoxyphenyl)-9-pentofuranosyl-9H-purin-6-amine chemical structure, C17H19N5O5, CAS 29204-77-1
N-(4-Methoxyphenyl)-9-pentofuranosyl-9H-purin-6-amine
CAS 29204-77-1C17H19N5O5
2-(2-Amino-6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C16H18N6O4, CAS 29217-90-1
2-(2-Amino-6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS 29217-90-1C16H18N6O4
2-[2-Amino-6-(4-methoxyanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C17H20N6O5, CAS 36799-23-2
2-[2-Amino-6-(4-methoxyanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS 36799-23-2C17H20N6O5
5-Hydroxymethyl-3-methyl-2-[6-(3-methylsulfanyl-phenylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol chemical structure, C18H21N5O4S, CAS 565435-03-2
5-Hydroxymethyl-3-methyl-2-[6-(3-methylsulfanyl-phenylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
CAS 565435-03-2C18H21N5O4S
A-D-Ribofuranuronothioamide, 1-deoxy-N-ethyl-1-[6-[(3-fluorophenyl)amino]-9H-purin-9-yl]- chemical structure, C18H19FN6O3S, CAS 120424-38-6
A-D-Ribofuranuronothioamide, 1-deoxy-N-ethyl-1-[6-[(3-fluorophenyl)amino]-9H-purin-9-yl]-
CAS 120424-38-6C18H19FN6O3S
Adenosine, N-(2-aminophenyl)-2'-deoxy-2-[(2-methyl-1-oxopropyl)amino]-, 3',5'-bis(2-methylpropanoate) chemical structure, C28H37N7O6, CAS 119680-19-2
Adenosine, N-(2-aminophenyl)-2'-deoxy-2-[(2-methyl-1-oxopropyl)amino]-, 3',5'-bis(2-methylpropanoate)
CAS 119680-19-2C28H37N7O6
[[(2R,3S,4R,5R)-5-(6-Anilinopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate chemical structure, C16H20N5O13P3, CAS 105740-47-4
[[(2R,3S,4R,5R)-5-(6-Anilinopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CAS 105740-47-4C16H20N5O13P3
2'-Deoxy-N-phenyladenosine chemical structure, C16H17N5O3, CAS 37109-91-4
2'-Deoxy-N-phenyladenosine
CAS 37109-91-4C16H17N5O3
Sodium 4-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)benzenesulfonate chemical structure, C16H16N5NaO7S, CAS 143668-15-9
Sodium 4-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)benzenesulfonate
CAS 143668-15-9C16H16N5NaO7S
[5-(6-Anilinopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate chemical structure, C16H18N5O7P
[5-(6-Anilinopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
C16H18N5O7P
((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-(phenylamino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate chemical structure, C16H18N5O7P, CAS 105740-46-3
((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-(phenylamino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
CAS 105740-46-3C16H18N5O7P
N-(3-Fluorophenyl)adenosine chemical structure, C16H16FN5O4, CAS 29204-64-6
N-(3-Fluorophenyl)adenosine
CAS 29204-64-6C16H16FN5O4
N-(2,6-Dimethylphenyl)adenosine chemical structure, C18H21N5O4, CAS 29204-51-1
N-(2,6-Dimethylphenyl)adenosine
CAS 29204-51-1C18H21N5O4
2-(4-((9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)phenyl)-N-methylacetamide chemical structure, C19H22N6O5, CAS 96760-58-6
2-(4-((9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)phenyl)-N-methylacetamide
CAS 96760-58-6C19H22N6O5
Adenosine 5'-(tetrahydrogen triphosphate), N-(2,4-dinitrophenyl)-(9CI) chemical structure, C16H18N7O17P3, CAS 50909-88-1
Adenosine 5'-(tetrahydrogen triphosphate), N-(2,4-dinitrophenyl)-(9CI)
CAS 50909-88-1C16H18N7O17P3