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Murcko scaffold

Ring system with 3 rings and 28 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
28
Chemicals
4
With full pages
0
Scaffold SMILES

C(=CC=CC1CCC=CC1C=CC=CC1=CCCCC1)C=CC1=CCCCC1

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(=CC=CC1CCC=CC1C=CC=CC1=CCCCC1)C=CC1=CCCCC1

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 4 of 4 chemicals

Kitol chemical structure, C40H60O2, CAS 4626-00-0
Kitol
CAS 4626-00-0C40H60O2
Kitol diacetate chemical structure, C44H64O4, CAS 13828-13-2
Kitol diacetate
CAS 13828-13-2C44H64O4
Kitol diacetate(mixture of diastereomers) chemical structure, C44H64O4
Kitol diacetate(mixture of diastereomers)
C44H64O4
rel-((1S,2R,5R,6S)-3,6-Dimethyl-5-((1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl)-6-((1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl)cyclohex-3-ene-1,2-diyl)bis(methylene) diacetate chemical structure, C44H64O4, CAS 188196-44-3
rel-((1S,2R,5R,6S)-3,6-Dimethyl-5-((1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl)-6-((1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl)cyclohex-3-ene-1,2-diyl)bis(methylene) diacetate
CAS 188196-44-3C44H64O4