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Murcko scaffold

Ring system with 4 rings and 29 atoms

34 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 29
Chemicals: 34
With full pages: 4

Scaffold SMILES

O=c1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)n1CCc1ccccc1

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=c1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)n1CCc1ccccc1

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 34 of 34 chemicals

Nbi-42902 chemical structure, C27H24F3N3O3, CAS 352290-60-9

CAS 352290-60-9C₂₇H₂₄F₃N₃O₃

Elagolix chemical structure, C32H30F5N3O5, CAS 834153-87-6

CAS 834153-87-6C₃₂H₃₀F₅N₃O₅

(R)-1-(2,6-Difluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione chemical structure, C27H25F2N3O3, CAS 352290-62-1

(R)-1-(2,6-Difluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione

CAS 352290-62-1C₂₇H₂₅F₂N₃O₃

NBI 42902 hydrochloride salt chemical structure, C27H25ClF3N3O3, CAS 848121-47-1

NBI 42902 hydrochloride salt

CAS 848121-47-1C₂₇H₂₅ClF₃N₃O₃

3-((R)-2-Amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1H-pyrimidine-2,4-dione chemical structure, C28H24F5N3O3, CAS 830346-50-4

3-((R)-2-Amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1H-pyrimidine-2,4-dione

CAS 830346-50-4C₂₈H₂₄F₅N₃O₃

4-[[2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid chemical structure, C32H30F5N3O5, CAS 2323071-30-1

4-[[2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid

CAS 2323071-30-1C₃₂H₃₀F₅N₃O₅

Elagolix sodium chemical structure, C32H29F5N3NaO5, CAS 832720-36-2

Elagolix sodium

CAS 832720-36-2C₃₂H₂₉F₅N₃NaO₅

Methyl 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate chemical structure, C33H32F5N3O5, CAS 1092070-97-7

Methyl 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate

CAS 1092070-97-7C₃₃H₃₂F₅N₃O₅

3-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]propanoic acid chemical structure, C31H28F5N3O5, CAS 834153-88-7

3-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]propanoic acid

CAS 834153-88-7C₃₁H₂₈F₅N₃O₅

RefChem:213945 chemical structure, C33H32F5N3O5, CAS 830346-51-5

CAS 830346-51-5C₃₃H₃₂F₅N₃O₅

3-((S)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-1H-pyrimidine-2,4-dione chemical structure, C26H22F3N3O3, CAS 352303-42-5

3-((S)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-1H-pyrimidine-2,4-dione

CAS 352303-42-5C₂₆H₂₂F₃N₃O₃

RefChem:595148 chemical structure, C34H34F5N3O5, CAS 832720-84-0

CAS 832720-84-0C₃₄H₃₄F₅N₃O₅

(S)-Elagolix chemical structure, C32H30F5N3O5, CAS 2409132-65-4

CAS 2409132-65-4C₃₂H₃₀F₅N₃O₅

Elagolix impurity 63 chemical structure, C32H31F4N3O5, CAS 2375499-61-7

Elagolix impurity 63

CAS 2375499-61-7C₃₂H₃₁F₄N₃O₅

Ethyl (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate hydrochloride chemical structure, C34H35ClF5N3O5, CAS 1150560-46-5

Ethyl (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate hydrochloride

CAS 1150560-46-5C₃₄H₃₅ClF₅N₃O₅

tert-Butyl N-[(1S)-2-[3-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate chemical structure, C32H32F3N3O5, CAS 830346-53-7

tert-Butyl N-[(1S)-2-[3-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate

CAS 830346-53-7C₃₂H₃₂F₃N₃O₅

(S)-Elagolix sodium chemical structure, C32H29F5N3NaO5, CAS 2756307-49-8

(S)-Elagolix sodium

CAS 2756307-49-8C₃₂H₂₉F₅N₃NaO₅

O-Demethyl elagolix chemical structure, C31H28F5N3O5, CAS 832720-51-1

O-Demethyl elagolix

CAS 832720-51-1C₃₁H₂₈F₅N₃O₅

(R)-N-(2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)acetamide chemical structure, C30H26F5N3O4, CAS 2749467-58-9

(R)-N-(2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)acetamide

CAS 2749467-58-9C₃₀H₂₆F₅N₃O₄

(R)-4,4'-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)azanediyl)dibutyric acid chemical structure, C36H36F5N3O7, CAS 2409132-60-9

(R)-4,4'-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)azanediyl)dibutyric acid

CAS 2409132-60-9C₃₆H₃₆F₅N₃O₇

4-[[(1R)-2-[4-(2,2-Dimethyl-4-oxopentyl)-5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid chemical structure, C38H40F5N3O6, CAS 2409132-64-3

4-[[(1R)-2-[4-(2,2-Dimethyl-4-oxopentyl)-5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid

CAS 2409132-64-3C₃₈H₄₀F₅N₃O₆

Elagolix impurity 51 chemical structure, C29H24F5N3O4, CAS 2409132-63-2

Elagolix impurity 51

CAS 2409132-63-2C₂₉H₂₄F₅N₃O₄

Elagolix impurity N4 chemical structure, C32H30F5N3O6, CAS 2409132-62-1

Elagolix impurity N4

CAS 2409132-62-1C₃₂H₃₀F₅N₃O₆

(R)-tert-Butyl (2-(5-(2-fluoro-3-hydroxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)carbamate chemical structure, C32H30F5N3O5, CAS 1062642-68-5

(R)-tert-Butyl (2-(5-(2-fluoro-3-hydroxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)carbamate

CAS 1062642-68-5C₃₂H₃₀F₅N₃O₅