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Murcko scaffold

Ring system with 4 rings and 25 atoms

12 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 12
With full pages: 2

Scaffold SMILES

c1ccc(CCC2c3ccccc3CCN2Cc2ccccc2)cc1

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 c1ccc(CCC2c3ccccc3CCN2Cc2ccccc2)cc1

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 12 of 12 chemicals

2-{1-[2-(4-Fluorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenylacetamide chemical structure, C27H29FN2O3, CAS 769172-02-3

2-{1-[2-(4-Fluorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenylacetamide

CAS 769172-02-3C₂₇H₂₉FN₂O₃

2-{1-[2-(2,3-Difluoro-phenyl)-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenyl-acetamide chemical structure, C27H28F2N2O3, CAS 769171-93-9

2-{1-[2-(2,3-Difluoro-phenyl)-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenyl-acetamide

CAS 769171-93-9C₂₇H₂₈F₂N₂O₃

2-{1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenyl-acetamide chemical structure, C29H34N2O5, CAS 769172-05-6

2-{1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenyl-acetamide

CAS 769172-05-6C₂₉H₃₄N₂O₅

2-[6,7-Dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenyl-acetamide chemical structure, C29H31F3N2O3, CAS 871224-63-4

2-[6,7-Dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenyl-acetamide

CAS 871224-63-4C₂₉H₃₁F₃N₂O₃

2-{1-[2-(3,4-Difluoro-phenyl)-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenyl-acetamide chemical structure, C27H28F2N2O3, CAS 769171-90-6

2-{1-[2-(3,4-Difluoro-phenyl)-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenyl-acetamide

CAS 769171-90-6C₂₇H₂₈F₂N₂O₃

2-{6,7-Dimethoxy-1-[2-(2-methoxy-phenyl)-ethyl]-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenyl-acetamide chemical structure, C28H32N2O4, CAS 769172-01-2

2-{6,7-Dimethoxy-1-[2-(2-methoxy-phenyl)-ethyl]-3,4-dihydro-1H-isoquinolin-2-yl}-2-phenyl-acetamide

CAS 769172-01-2C₂₈H₃₂N₂O₄

Almorexant chemical structure, C29H31F3N2O3, CAS 871224-64-5

CAS 871224-64-5C₂₉H₃₁F₃N₂O₃

Almorexant hydrochloride chemical structure, C29H32ClF3N2O3, CAS 913358-93-7

Almorexant hydrochloride

CAS 913358-93-7C₂₉H₃₂ClF₃N₂O₃

(2R)-2-[(1R)-6,7-Dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide chemical structure, C29H31F3N2O3, CAS 1266467-63-3

(2R)-2-[(1R)-6,7-Dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide

CAS 1266467-63-3C₂₉H₃₁F₃N₂O₃

(S)-2-((S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide chemical structure, C29H31F3N2O3, CAS 2055114-67-3

(S)-2-((S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide

CAS 2055114-67-3C₂₉H₃₁F₃N₂O₃

Almorexant HCl chemical structure, C29H32ClF3N2O3

C₂₉H₃₂ClF₃N₂O₃

Almorexant-13C,d3 chemical structure, C29H31F3N2O3, CAS 2738376-75-3

Almorexant-13C,d3

CAS 2738376-75-3C₂₉H₃₁F₃N₂O₃