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Murcko scaffold

Ring system with 4 rings and 22 atoms

28 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
28
With full pages
14
Scaffold SMILES

c1ccc(CSc2ncnc3c2ncn3C2CCCO2)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(CSc2ncnc3c2ncn3C2CCCO2)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 28 of 28 chemicals

2-(Hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol chemical structure, C17H17N5O6S, CAS 1294455-79-0
2-(Hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
CAS 1294455-79-0C17H17N5O6S
S-(4-Nitrobenzyl)-6-thioinosine chemical structure, C17H17N5O6S, CAS 38048-32-7
S-(4-Nitrobenzyl)-6-thioinosine
CAS 38048-32-7C17H17N5O6S
6-Benzylthioinosine chemical structure, C17H18N4O4S, CAS 6165-03-3
6-Benzylthioinosine
CAS 6165-03-3C17H18N4O4S
6-(4-Nitrobenzylthio)guanosine chemical structure, C17H18N6O6S, CAS 13153-27-0
6-(4-Nitrobenzylthio)guanosine
CAS 13153-27-0C17H18N6O6S
Nitrobenzylthioinosine 5'-monophosphate chemical structure, C17H18N5O9PS, CAS 65199-10-2
Nitrobenzylthioinosine 5'-monophosphate
CAS 65199-10-2C17H18N5O9PS
6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine chemical structure, C17H16IN5O7S, CAS 109982-34-5
6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine
CAS 109982-34-5C17H16IN5O7S
2-Hydroxy-5-nitrobenzylthioguanosine chemical structure, C17H18N6O7S, CAS 41094-07-9
2-Hydroxy-5-nitrobenzylthioguanosine
CAS 41094-07-9C17H18N6O7S
6-S-((4-Chlorophenyl)methyl)-6-thioinosine chemical structure, C17H17ClN4O4S, CAS 51375-21-4
6-S-((4-Chlorophenyl)methyl)-6-thioinosine
CAS 51375-21-4C17H17ClN4O4S
Benzylthioguanosine chemical structure, C17H19N5O4S, CAS 6220-32-2
Benzylthioguanosine
CAS 6220-32-2C17H19N5O4S
9H-Purine, 2-amino-6-[(o-chlorobenzyl)thio]-9-beta-D-ribofuranosyl- chemical structure, C17H18ClN5O4S, CAS 13153-25-8
9H-Purine, 2-amino-6-[(o-chlorobenzyl)thio]-9-beta-D-ribofuranosyl-
CAS 13153-25-8C17H18ClN5O4S
2-[2-Amino-6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C17H18ClN5O4S, CAS 93408-07-2
2-[2-Amino-6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS 93408-07-2C17H18ClN5O4S
2-[2-Amino-6-[(4-methylphenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C18H21N5O4S, CAS 93996-50-0
2-[2-Amino-6-[(4-methylphenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS 93996-50-0C18H21N5O4S
2-[2-Amino-6-[(2-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C17H18N6O6S, CAS 13153-26-9
2-[2-Amino-6-[(2-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS 13153-26-9C17H18N6O6S
6-[(2-Fluorophenyl)methylsulfanyl]-9-(oxolan-2-yl)purine chemical structure, C16H15FN4OS, CAS 1648-22-2
6-[(2-Fluorophenyl)methylsulfanyl]-9-(oxolan-2-yl)purine
CAS 1648-22-2C16H15FN4OS
6-Benzylsulfanyl-9-(oxolan-2-yl)purin-2-amine chemical structure, C16H17N5OS, CAS 93312-54-0
6-Benzylsulfanyl-9-(oxolan-2-yl)purin-2-amine
CAS 93312-54-0C16H17N5OS
2-[2-Amino-6-[(4-bromophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C17H18BrN5O4S, CAS 56964-81-9
2-[2-Amino-6-[(4-bromophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS 56964-81-9C17H18BrN5O4S
2-[2-Amino-6-[(2-fluorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C17H18FN5O4S, CAS 13153-24-7
2-[2-Amino-6-[(2-fluorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS 13153-24-7C17H18FN5O4S
2-[2-Amino-6-[(4-fluorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C17H18FN5O4S, CAS 40297-53-8
2-[2-Amino-6-[(4-fluorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS 40297-53-8C17H18FN5O4S
9H-Purin-2-amine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-[(phenylmethyl)thio]- chemical structure, C17H19N5O3S, CAS 6953-43-1
9H-Purin-2-amine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-[(phenylmethyl)thio]-
CAS 6953-43-1C17H19N5O3S
6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9H-purine chemical structure, C17H17FN4O4S, CAS 4425-07-4
6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9H-purine
CAS 4425-07-4C17H17FN4O4S
2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol chemical structure, C18H21N5O4S, CAS 4478-00-6
2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS 4478-00-6C18H21N5O4S
(2R,3S,4R,5S)-2-(Hydroxymethyl)-5-(6-((4-nitrobenzyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol chemical structure, C17H17N5O6S, CAS 65177-79-9
(2R,3S,4R,5S)-2-(Hydroxymethyl)-5-(6-((4-nitrobenzyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
CAS 65177-79-9C17H17N5O6S
(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[(2-methylphenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol chemical structure, C18H20N4O4S, CAS 56964-78-4
(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[(2-methylphenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
CAS 56964-78-4C18H20N4O4S
(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[(4-methoxyphenyl)methylsulfanyl]purin-9-yl]tetrahydrofuran-3,4-diol chemical structure, C18H20N4O5S, CAS 682745-59-1
(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[(4-methoxyphenyl)methylsulfanyl]purin-9-yl]tetrahydrofuran-3,4-diol
CAS 682745-59-1C18H20N4O5S