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Murcko scaffold

Ring system with 4 rings and 19 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
9
With full pages
3
Scaffold SMILES

O=C1CC2CCNC(Cc3c1[nH]c1ccccc31)C2

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=C1CC2CCNC(Cc3c1[nH]c1ccccc31)C2

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 9 of 9 chemicals

(-)-Dregamine chemical structure, C21H26N2O3, CAS 2299-26-5
(-)-Dregamine
CAS 2299-26-5C21H26N2O3
Methyl 3-oxo-19,20-dihydrovobasan-17-oate--hydrogen chloride (1/1) chemical structure, C21H27ClN2O3, CAS 71339-12-3
Methyl 3-oxo-19,20-dihydrovobasan-17-oate--hydrogen chloride (1/1)
CAS 71339-12-3C21H27ClN2O3
Vobasan-17-oic acid, 19,20-dihydro-3-oxo-, methyl ester, hydrochloride, (16R,20-alpha)- chemical structure, C21H27ClN2O3, CAS 71339-14-5
Vobasan-17-oic acid, 19,20-dihydro-3-oxo-, methyl ester, hydrochloride, (16R,20-alpha)-
CAS 71339-14-5C21H27ClN2O3
Dregamine chlorhydrate chemical structure, C21H27ClN2O3, CAS 71359-01-8
Dregamine chlorhydrate
CAS 71359-01-8C21H27ClN2O3
Vobasan-17-oic acid, 19, 20-dihydro-3-oxo-, methyl ester, (20alpha)- chemical structure, C21H26N2O3
Vobasan-17-oic acid, 19, 20-dihydro-3-oxo-, methyl ester, (20alpha)-
C21H26N2O3
2,6-Methano-1H-azecino(5,4-b)indole-14-carboxylic acid, 5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, (2S,5S,6S,14S)- chemical structure, C21H26N2O3, CAS 2134-98-7
2,6-Methano-1H-azecino(5,4-b)indole-14-carboxylic acid, 5-ethyl-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, (2S,5S,6S,14S)-
CAS 2134-98-7C21H26N2O3
Dregamine chemical structure, C21H26N2O3
Dregamine
C21H26N2O3
Methyl (1S,14S,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate chemical structure, C21H26N2O3
Methyl (1S,14S,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
C21H26N2O3
Methyl (1S,14S,15R,18R)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate chemical structure, C21H26N2O3
Methyl (1S,14S,15R,18R)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
C21H26N2O3