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Murcko scaffold

Ring system with 3 rings and 17 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
8
With full pages
2
Scaffold SMILES

c1cc(C2CCCN2)c[n+](C2CCCCO2)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 c1cc(C2CCCN2)c[n+](C2CCCCO2)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 8 of 8 chemicals

(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate chemical structure, C16H22N2O6, CAS 152306-59-7
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
CAS 152306-59-7C16H22N2O6
Nicotine N-glucuronide chemical structure, C16H22N2O6, CAS 153536-53-9
Nicotine N-glucuronide
CAS 153536-53-9C16H22N2O6
(S)-Nicotine-d3 N-beta-D-glucuronide chemical structure, C16H22N2O6, CAS 329002-74-6
(S)-Nicotine-d3 N-beta-D-glucuronide
CAS 329002-74-6C16H22N2O6
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-(1-nitrosopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate chemical structure, C15H19N3O7
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-(1-nitrosopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate
C15H19N3O7
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-[(2S)-1-nitrosopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate chemical structure, C15H19N3O7, CAS 864071-82-9
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-[(2S)-1-nitrosopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
CAS 864071-82-9C15H19N3O7
(3S,6R)-3,4,5-Trihydroxy-6-[3-(1-nitrosopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate chemical structure, C15H19N3O7
(3S,6R)-3,4,5-Trihydroxy-6-[3-(1-nitrosopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate
C15H19N3O7
(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-3,4,5-triol chemical structure, C16H25N2O5+, CAS 911474-72-1
(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-3,4,5-triol
CAS 911474-72-1C16H25N2O5+
Pyridinium, 1-ss-D-glucopyranuronosyl-3-(1-nitroso-2-pyrrolidinyl)-, inner salt, stereoisomer (9CI), N'-Nitrosonornicotine N-ss-D-Glucuronide chemical structure, C15H21N3O8, CAS 350508-25-7
Pyridinium, 1-ss-D-glucopyranuronosyl-3-(1-nitroso-2-pyrrolidinyl)-, inner salt, stereoisomer (9CI), N'-Nitrosonornicotine N-ss-D-Glucuronide
CAS 350508-25-7C15H21N3O8