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Murcko scaffold

Ring system with 3 rings and 15 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
8
With full pages
4
Scaffold SMILES

O=c1[nH]cnc2c(C3CCCN3)c[nH]c12

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 O=c1[nH]cnc2c(C3CCCN3)c[nH]c12

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 8 of 8 chemicals

Immucillins, 17 chemical structure, C11H14N4O4, CAS 1219216-83-7
Immucillins, 17
CAS 1219216-83-7C11H14N4O4
Forodesine chemical structure, C11H14N4O4, CAS 209799-67-7
Forodesine
CAS 209799-67-7C11H14N4O4
Immucillin G chemical structure, C11H15N5O4, CAS 209799-75-7
Immucillin G
CAS 209799-75-7C11H15N5O4
Forodesine hydrochloride chemical structure, C11H15ClN4O4, CAS 284490-13-7
Forodesine hydrochloride
CAS 284490-13-7C11H15ClN4O4
(2S,3S,4R,5R)-tert-Butyl 3,4-dihydroxy-2-(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-1-carboxylate chemical structure, C16H22N4O6, CAS 872534-33-3
(2S,3S,4R,5R)-tert-Butyl 3,4-dihydroxy-2-(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS 872534-33-3C16H22N4O6
(2R,3R,4S,5S)-2-(Acetoxymethyl)-1-(tert-butoxycarbonyl)-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-3,4-diyl diacetate chemical structure, C22H28N4O9, CAS 577978-45-1
(2R,3R,4S,5S)-2-(Acetoxymethyl)-1-(tert-butoxycarbonyl)-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-3,4-diyl diacetate
CAS 577978-45-1C22H28N4O9
3,4-Dihydroxy-2-hydroxymethyl-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester chemical structure, C16H22N4O6
3,4-Dihydroxy-2-hydroxymethyl-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester
C16H22N4O6
tert-Butyl 3,4-diacetyloxy-2-(acetyloxymethyl)-5-(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate chemical structure, C22H28N4O9
tert-Butyl 3,4-diacetyloxy-2-(acetyloxymethyl)-5-(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate
C22H28N4O9