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Murcko scaffold

Ring system with 4 rings and 22 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
5
With full pages
0
Scaffold SMILES

C(#Cc1ncc2ncn(C3CCCO3)c2n1)c1ccccc1

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 C(#Cc1ncc2ncn(C3CCCO3)c2n1)c1ccccc1

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 5 of 5 chemicals

(2R,3R,4S,5R)-2-(6-Amino-2-(phenylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol chemical structure, C18H17N5O4, CAS 90596-70-6
(2R,3R,4S,5R)-2-(6-Amino-2-(phenylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS 90596-70-6C18H17N5O4
(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(methylamino)-2-(phenylethynyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol chemical structure, C19H19N5O4, CAS 377774-43-1
(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(methylamino)-2-(phenylethynyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
CAS 377774-43-1C19H19N5O4
Orb3211106 chemical structure, C18H32N9O13P3, CAS 851191-73-6
Orb3211106
CAS 851191-73-6C18H32N9O13P3
PF9 tetrasodium salt chemical structure, C18H16N5Na4O13P3, CAS 851265-78-6
PF9 tetrasodium salt
CAS 851265-78-6C18H16N5Na4O13P3
Adenosine 5'-(tetrahydrogen triphosphate), 2-(phenylethynyl)- chemical structure, C18H16N5Na4O13P3
Adenosine 5'-(tetrahydrogen triphosphate), 2-(phenylethynyl)-
C18H16N5Na4O13P3