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Murcko scaffold

Ring system with 5 rings and 27 atoms

10 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
27
Chemicals
10
With full pages
1
Scaffold SMILES

O=C1C=C2CCC3C(CCC4C(OC(=O)c5ccccc5)CCC43)C2CC1

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=C1C=C2CCC3C(CCC4C(OC(=O)c5ccccc5)CCC43)C2CC1

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 10 of 10 chemicals

[10-(Hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate chemical structure, C26H32O4, CAS 20155-05-9
[10-(Hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate
CAS 20155-05-9C26H32O4
Testosterone benzoate chemical structure, C26H32O3, CAS 2088-71-3
Testosterone benzoate
CAS 2088-71-3C26H32O3
Benzodrocortisone chemical structure, C28H34O6, CAS 28956-89-0
Benzodrocortisone
CAS 28956-89-0C28H34O6
Nandrolone benzoate chemical structure, C25H30O3, CAS 1474-55-1
Nandrolone benzoate
CAS 1474-55-1C25H30O3
10-Formyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl benzoate chemical structure, C26H30O4, CAS 986-02-7
10-Formyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl benzoate
CAS 986-02-7C26H30O4
(17alpha)-17-(Benzoyloxy)androst-4-en-3-one chemical structure, C26H32O3, CAS 36025-82-8
(17alpha)-17-(Benzoyloxy)androst-4-en-3-one
CAS 36025-82-8C26H32O3
21-Chloro-9-fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione 17-benzoate chemical structure, C28H32ClFO5, CAS 78719-57-0
21-Chloro-9-fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione 17-benzoate
CAS 78719-57-0C28H32ClFO5
Norepitestosterone 4-nitrobenzoate chemical structure, C25H29NO5, CAS 53247-20-4
Norepitestosterone 4-nitrobenzoate
CAS 53247-20-4C25H29NO5
Nandrolone-13C2 benzoate chemical structure, C25H30O3, CAS 82938-03-2
Nandrolone-13C2 benzoate
CAS 82938-03-2C25H30O3
epi-Testosterone Benzoate-d3 chemical structure, C26H32O3, CAS 171199-95-4
epi-Testosterone Benzoate-d3
CAS 171199-95-4C26H32O3