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Murcko scaffold

Ring system with 7 rings and 19 atoms

10 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
19
Chemicals
10
With full pages
0
Scaffold SMILES

c1ccc2c(c1)N=C1C3CC4CCN3C3CC12CC43

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 c1ccc2c(c1)N=C1C3CC4CCN3C3CC12CC43

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

(17R,20alpha,21beta)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate chemical structure, C21H24N2O3, CAS 36285-11-7
(17R,20alpha,21beta)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate
CAS 36285-11-7C21H24N2O3
Alstoyunine D chemical structure, C21H22N2O6, CAS 1188932-14-0
Alstoyunine D
CAS 1188932-14-0C21H22N2O6
Alstoyunine F chemical structure, C22H26N2O4, CAS 1188932-16-2
Alstoyunine F
CAS 1188932-16-2C22H26N2O4
Perakine chemical structure, C21H22N2O3, CAS 4382-56-3
Perakine
CAS 4382-56-3C21H22N2O3
[(1R,10S,12S,13R,14S,16S,17S,18R)-14-Methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate chemical structure, C24H26N2O3, CAS 1422506-52-2
[(1R,10S,12S,13R,14S,16S,17S,18R)-14-Methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
CAS 1422506-52-2C24H26N2O3
Rauvotetraphylline D chemical structure, C24H26N2O3
Rauvotetraphylline D
C24H26N2O3
Rauvotetraphylline D chemical structure, C24H26N2O3
Rauvotetraphylline D
C24H26N2O3
Vincawajine chemical structure, C24H28N2O5, CAS 164176-14-1
Vincawajine
CAS 164176-14-1C24H28N2O5
[14-Methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate chemical structure, C24H26N2O3
[14-Methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
C24H26N2O3
[(1R,10S,12S,13R,14S,16S,17R,18R)-14-Methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate chemical structure, C24H26N2O3
[(1R,10S,12S,13R,14S,16S,17R,18R)-14-Methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
C24H26N2O3