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Murcko scaffold

Ring system with 6 rings and 40 atoms

7 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
40
Chemicals
7
With full pages
1
Scaffold SMILES

O=C(Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1

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=C(Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1

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 7 of 7 chemicals

Tariquidar chemical structure, C38H38N4O6, CAS 206873-63-4
Tariquidar
CAS 206873-63-4C38H38N4O6
Tariquidar dimesylate chemical structure, C40H46N4O12S2, CAS 625375-84-0
Tariquidar dimesylate
CAS 625375-84-0C40H46N4O12S2
Tariquidar (methanesulfonate, hydrate) chemical structure, C40H52N4O15S2, CAS 625375-83-9
Tariquidar (methanesulfonate, hydrate)
CAS 625375-83-9C40H52N4O15S2
Tariquidar dihydrochloride chemical structure, C38H40Cl2N4O6, CAS 1992047-62-7
Tariquidar dihydrochloride
CAS 1992047-62-7C38H40Cl2N4O6
N-[2-[[4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide, methanesulfonic acid, hydrate chemical structure, C39H44N4O10S
N-[2-[[4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide, methanesulfonic acid, hydrate
C39H44N4O10S
Orb1687163 chemical structure, C80H94N8O25S4
Orb1687163
C80H94N8O25S4
Bis(N-[2-[[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinolin-1-ium-3-carboxamide), methanesulfonate, hydrate chemical structure, C80H94N8O25S4
Bis(N-[2-[[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinolin-1-ium-3-carboxamide), methanesulfonate, hydrate
C80H94N8O25S4