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Murcko scaffold

Ring system with 4 rings and 19 atoms

11 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 19
Chemicals: 11
With full pages: 1

Scaffold SMILES

C=C1CC2C(CCC3C4CCCC4CCC23)CC1=O

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=C1CC2C(CCC3C4CCCC4CCC23)CC1=O

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 11 of 11 chemicals

(5alpha,17beta)-17-Hydroxy-2-(hydroxymethylene)androstan-3-one chemical structure, C20H30O3, CAS 4033-95-8

(5alpha,17beta)-17-Hydroxy-2-(hydroxymethylene)androstan-3-one

CAS 4033-95-8C₂₀H₃₀O₃

17beta-Hydroxy-2-(hydroxymethylene)-17-methyl-5alpha-androstan-3-one chemical structure, C21H32O3, CAS 156197-08-9

17beta-Hydroxy-2-(hydroxymethylene)-17-methyl-5alpha-androstan-3-one

CAS 156197-08-9C₂₁H₃₂O₃

Oxymetholone chemical structure, C21H32O3, CAS 434-07-1

CAS 434-07-1C₂₁H₃₂O₃

(1Z)-1-[(2Z)-17beta-(Acetyloxy)-3-oxo-5alpha-androstan-2-ylidene]-2,2,2-trifluoroethyl acetate chemical structure, C25H33F3O5, CAS 2023-24-7

(1Z)-1-[(2Z)-17beta-(Acetyloxy)-3-oxo-5alpha-androstan-2-ylidene]-2,2,2-trifluoroethyl acetate

CAS 2023-24-7C₂₅H₃₃F₃O₅

(2Z)-2-[[Bis(2-hydroxyethyl)amino]methylidene]-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one chemical structure, C24H39NO4, CAS 6622-97-5

(2Z)-2-[[Bis(2-hydroxyethyl)amino]methylidene]-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

CAS 6622-97-5C₂₄H₃₉NO₄

(2Z)-2-(Hydroxymethylidene)-10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one chemical structure, C28H46O2, CAS 17130-63-1

(2Z)-2-(Hydroxymethylidene)-10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

CAS 17130-63-1C₂₈H₄₆O₂

(2Z,5S,8R,9S,10S,13S,14S,17R)-17-Hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one chemical structure, C21H32O3

(2Z,5S,8R,9S,10S,13S,14S,17R)-17-Hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

C₂₁H₃₂O₃

17beta-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one chemical structure, C21H32O3

17beta-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one

C₂₁H₃₂O₃

17beta-Hydroxy-2-(hydroxymethylidene)-17alpha-methylandrostan-3-one chemical structure, C21H32O3, CAS 18045-52-8

17beta-Hydroxy-2-(hydroxymethylidene)-17alpha-methylandrostan-3-one

CAS 18045-52-8C₂₁H₃₂O₃

2-[2-(Dimethylamino)ethylidene]cholestan-3-one chemical structure, C31H53NO, CAS 61223-75-4

2-[2-(Dimethylamino)ethylidene]cholestan-3-one

CAS 61223-75-4C₃₁H₅₃NO

Oxymetholone-d3 chemical structure, C21H32O3, CAS 88247-86-3

Oxymetholone-d3

CAS 88247-86-3C₂₁H₃₂O₃