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Murcko scaffold

Ring system with 3 rings and 14 atoms

8 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 14
Chemicals: 8
With full pages: 2

Scaffold SMILES

O=C1CCC2c3ccccc3CCN12

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=C1CCC2c3ccccc3CCN12

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

2-Hydroxy-5,5-dimethyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one chemical structure, C14H17NO2, CAS 182485-97-8

2-Hydroxy-5,5-dimethyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one

CAS 182485-97-8C₁₄H₁₇NO₂

(±)-Trolline chemical structure, C12H13NO3, CAS 1021950-79-7

CAS 1021950-79-7C₁₂H₁₃NO₃

(1R,2R,10bS)-1,2-Dihydroxy-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one chemical structure, C12H13NO3, CAS 524950-94-5

(1R,2R,10bS)-1,2-Dihydroxy-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one

CAS 524950-94-5C₁₂H₁₃NO₃

(1S,2S,10bS)-1,2-Dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one chemical structure, C12H13NO3, CAS 524950-87-6

(1S,2S,10bS)-1,2-Dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

CAS 524950-87-6C₁₂H₁₃NO₃

8-Hydroxy-1,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3(2H)-one chemical structure, C12H13NO2, CAS 1414380-13-4

8-Hydroxy-1,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3(2H)-one

CAS 1414380-13-4C₁₂H₁₃NO₂

9-Hydroxy-1,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3(2H)-one chemical structure, C12H13NO2, CAS 1416439-52-5

9-Hydroxy-1,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3(2H)-one

CAS 1416439-52-5C₁₂H₁₃NO₂

1,5,6,10b-Tetrahydro-2-hydroxypyrrolo(2,1-a)isoquinolin-3(2H)-one chemical structure, C12H13NO2, CAS 19345-03-0

1,5,6,10b-Tetrahydro-2-hydroxypyrrolo(2,1-a)isoquinolin-3(2H)-one

CAS 19345-03-0C₁₂H₁₃NO₂

9-Bromo-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one chemical structure, C12H12BrNO, CAS 2605229-99-8

9-Bromo-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one

CAS 2605229-99-8C₁₂H₁₂BrNO