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Murcko scaffold

Ring system with 3 rings and 21 atoms

37 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 21
Chemicals: 37
With full pages: 6

Scaffold SMILES

O=c1cc(N2CCCCC2)n(Cc2ccccc2)c(=O)[nH]1

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=c1cc(N2CCCCC2)n(Cc2ccccc2)c(=O)[nH]1

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 37 of 37 chemicals

2-((6-(3-Amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)benzonitrile chemical structure, C18H21N5O2, CAS 865759-26-8

2-((6-(3-Amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)benzonitrile

CAS 865759-26-8C₁₈H₂₁N₅O₂

(R)-2-((6-(3-Aminopiperidin-1-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile chemical structure, C17H19N5O2, CAS 865758-98-1

(R)-2-((6-(3-Aminopiperidin-1-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

CAS 865758-98-1C₁₇H₁₉N₅O₂

Alogliptin chemical structure, C18H21N5O2, CAS 850649-61-5

CAS 850649-61-5C₁₈H₂₁N₅O₂

Trelagliptin chemical structure, C18H20FN5O2, CAS 865759-25-7

CAS 865759-25-7C₁₈H₂₀FN₅O₂

Alogliptin benzoate chemical structure, C25H27N5O4, CAS 850649-62-6

Alogliptin benzoate

CAS 850649-62-6C₂₅H₂₇N₅O₄

(R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile 2,2,2-trifluoroacetate chemical structure, C20H22F3N5O4, CAS 1246610-76-3

(R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile 2,2,2-trifluoroacetate

CAS 1246610-76-3C₂₀H₂₂F₃N₅O₄

Trelagliptin succinate chemical structure, C22H26FN5O6, CAS 1029877-94-8

Trelagliptin succinate

CAS 1029877-94-8C₂₂H₂₆FN₅O₆

2-({6-[(3R)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile hydrochloride chemical structure, C18H22ClN5O2, CAS 1246610-75-2

2-({6-[(3R)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile hydrochloride

CAS 1246610-75-2C₁₈H₂₂ClN₅O₂

N-Boc Alogliptin chemical structure, C23H29N5O4, CAS 1246610-74-1

N-Boc Alogliptin

CAS 1246610-74-1C₂₃H₂₉N₅O₄

Trelagliptin trifluoroacetic acid salt chemical structure, C20H21F4N5O4, CAS 928201-45-0

Trelagliptin trifluoroacetic acid salt

CAS 928201-45-0C₂₀H₂₁F₄N₅O₄

Alogliptin/metformin chemical structure, C22H32N10O2, CAS 1198772-18-7

Alogliptin/metformin

CAS 1198772-18-7C₂₂H₃₂N₁₀O₂

Alogliptin-d3 chemical structure, C18H21N5O2, CAS 1133421-35-8

CAS 1133421-35-8C₁₈H₂₁N₅O₂

(S)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile chemical structure, C18H21N5O2, CAS 1108732-05-3

(S)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

CAS 1108732-05-3C₁₈H₂₁N₅O₂

(S)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-fluorobenzonitrile chemical structure, C18H20FN5O2, CAS 2206135-35-3

(S)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-fluorobenzonitrile

CAS 2206135-35-3C₁₈H₂₀FN₅O₂

(S)-Alogliptin benzoate salt chemical structure, C25H27N5O4, CAS 1638544-64-5

(S)-Alogliptin benzoate salt

CAS 1638544-64-5C₂₅H₂₇N₅O₄

(R)-3-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile chemical structure, C18H21N5O2, CAS 1339955-49-5

(R)-3-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

CAS 1339955-49-5C₁₈H₂₁N₅O₂

Trelagliptin impurity 96 chemical structure, C23H28FN5O4, CAS 1799608-63-1

Trelagliptin impurity 96

CAS 1799608-63-1C₂₃H₂₈FN₅O₄

(R)-4-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate chemical structure, C25H27N5O4, CAS 1638544-63-4

(R)-4-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate

CAS 1638544-63-4C₂₅H₂₇N₅O₄

4-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile chemical structure, C18H21N5O2, CAS 1638544-62-3

4-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile

CAS 1638544-62-3C₁₈H₂₁N₅O₂

(3R)-1-(3-((2-Cyanophenyl)methyl)-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)-3-piperidinecarboxamide chemical structure, C19H21N5O3, CAS 1808952-21-7

(3R)-1-(3-((2-Cyanophenyl)methyl)-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)-3-piperidinecarboxamide

CAS 1808952-21-7C₁₉H₂₁N₅O₃

Aak29QV5QV chemical structure, C17H19N5O2, CAS 2726971-73-7

CAS 2726971-73-7C₁₇H₁₉N₅O₂

(R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzamide chemical structure, C18H23N5O3, CAS 1820685-30-0

(R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzamide

CAS 1820685-30-0C₁₈H₂₃N₅O₃

Alogliptin-13Cd3 chemical structure, C18H21N5O2, CAS 1246817-18-4

Alogliptin-13Cd3

CAS 1246817-18-4C₁₈H₂₁N₅O₂

(R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzoic acid chemical structure, C18H22N4O4, CAS 2748587-69-9

(R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzoic acid

CAS 2748587-69-9C₁₈H₂₂N₄O₄