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Murcko scaffold

Ring system with 2 rings and 17 atoms

7 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
17
Chemicals
7
With full pages
5
Scaffold SMILES

N=C(CCc1ccccc1)SC1CCCCO1

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 N=C(CCc1ccccc1)SC1CCCCO1

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 7 of 7 chemicals

Gluconasturtiin chemical structure, C15H21NO9S2, CAS 499-30-9
Gluconasturtiin
CAS 499-30-9C15H21NO9S2
Glucosibarin potassium salt chemical structure, C15H20KNO10S2, CAS 144491-25-8
Glucosibarin potassium salt
CAS 144491-25-8C15H20KNO10S2
(2R)-2-Hydroxy-2-phenethylglucosinolate chemical structure, C15H21NO10S2, CAS 155450-31-0
(2R)-2-Hydroxy-2-phenethylglucosinolate
CAS 155450-31-0C15H21NO10S2
beta-D-Glucopyranose, 1-thio-, 1-(beta-hydroxy-N-(sulfooxy)benzenepropanimidate), monopotassium salt, (S)- chemical structure, C15H20KNO10S2
beta-D-Glucopyranose, 1-thio-, 1-(beta-hydroxy-N-(sulfooxy)benzenepropanimidate), monopotassium salt, (S)-
C15H20KNO10S2
S-(3-Phenyl-N-sulfooxypropionimidoyl)-1-thio-beta-D-glucopyranose, potassium chemical structure, C15H20KNO9S2, CAS 1454839-39-4
S-(3-Phenyl-N-sulfooxypropionimidoyl)-1-thio-beta-D-glucopyranose, potassium
CAS 1454839-39-4C15H20KNO9S2
Potassium [(E)-[(3S)-3-hydroxy-3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate chemical structure, C15H20KNO10S2, CAS 21087-78-5
Potassium [(E)-[(3S)-3-hydroxy-3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate
CAS 21087-78-5C15H20KNO10S2
Potassium [(Z)-[(3S)-3-hydroxy-3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate chemical structure, C15H20KNO10S2
Potassium [(Z)-[(3S)-3-hydroxy-3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate
C15H20KNO10S2