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Murcko scaffold

Ring system with 4 rings and 16 atoms

29 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 16
Chemicals: 29
With full pages: 4

Scaffold SMILES

c1cnc2cc3c(cc2n1)C1CNCC3C1

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 c1cnc2cc3c(cc2n1)C1CNCC3C1

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 29 of 29 chemicals

Varenicline chemical structure, C13H13N3, CAS 249296-44-4

CAS 249296-44-4C₁₃H₁₃N₃

Varenicline tartrate chemical structure, C17H19N3O6, CAS 375815-87-5

Varenicline tartrate

CAS 375815-87-5C₁₇H₁₉N₃O₆

14-Methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene chemical structure, C14H15N3, CAS 328055-92-1

14-Methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

CAS 328055-92-1C₁₄H₁₅N₃

Varenicline dihydrochloride chemical structure, C13H15Cl2N3, CAS 230615-23-3

Varenicline dihydrochloride

CAS 230615-23-3C₁₃H₁₅Cl₂N₃

2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone chemical structure, C15H12F3N3O, CAS 230615-70-0

2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone

CAS 230615-70-0C₁₅H₁₂F₃N₃O

N-Formylvarenicline chemical structure, C14H13N3O, CAS 796865-82-2

N-Formylvarenicline

CAS 796865-82-2C₁₄H₁₃N₃O

7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline dihydrochloride chemical structure, C13H15Cl2N3, CAS 866823-63-4

7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline dihydrochloride

CAS 866823-63-4C₁₃H₁₅Cl₂N₃

5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene-14-carboxylic acid chemical structure, C14H13N3O2, CAS 1026685-55-1

5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene-14-carboxylic acid

CAS 1026685-55-1C₁₄H₁₃N₃O₂

Methyl varenicline chemical structure, C14H15N3, CAS 1333145-89-3

Methyl varenicline

CAS 1333145-89-3C₁₄H₁₅N₃

N-Hydroxy varenicline chemical structure, C13H13N3O, CAS 2724982-86-7

N-Hydroxy varenicline

CAS 2724982-86-7C₁₃H₁₃N₃O

Varenicline-d4 chemical structure, C13H13N3, CAS 2183239-01-0

CAS 2183239-01-0C₁₃H₁₃N₃

Varenicline salicylate chemical structure, C20H19N3O3, CAS 2093452-45-8

Varenicline salicylate

CAS 2093452-45-8C₂₀H₁₉N₃O₃

uPSEM 817 tartrate chemical structure, C20H25N3O7, CAS 2341833-14-3

uPSEM 817 tartrate

CAS 2341833-14-3C₂₀H₂₅N₃O₇

8-Methyl varenicline hydrochloride chemical structure, C14H16ClN3, CAS 230615-24-4

8-Methyl varenicline hydrochloride

CAS 230615-24-4C₁₄H₁₆ClN₃

7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline 1-oxide chemical structure, C13H13N3O, CAS 2306217-12-7

7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline 1-oxide

CAS 2306217-12-7C₁₃H₁₃N₃O

2,3-Dihydroxy-4-oxo-4-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)butanoic acid chemical structure, C17H17N3O5, CAS 2306217-15-0

2,3-Dihydroxy-4-oxo-4-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)butanoic acid

CAS 2306217-15-0C₁₇H₁₇N₃O₅

(6S,10R)-2-Methoxy-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline chemical structure, C14H15N3O, CAS 1944483-68-4

(6S,10R)-2-Methoxy-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline

CAS 1944483-68-4C₁₄H₁₅N₃O

Varenicline citrate chemical structure, C19H21N3O7, CAS 536696-70-5

Varenicline citrate

CAS 536696-70-5C₁₉H₂₁N₃O₇

N-Nitroso varenicline chemical structure, C13H12N4O, CAS 2755871-02-2

N-Nitroso varenicline

CAS 2755871-02-2C₁₃H₁₂N₄O

Varenicline besylate chemical structure, C19H19N3O3S, CAS 1449383-09-8

Varenicline besylate

CAS 1449383-09-8C₁₉H₁₉N₃O₃S

Varenicline besylate monohydrate chemical structure, C19H21N3O4S, CAS 2144802-73-1

Varenicline besylate monohydrate

CAS 2144802-73-1C₁₉H₂₁N₃O₄S

Varenicline oxalate hydrate chemical structure, C15H17N3O5, CAS 2041583-40-6

Varenicline oxalate hydrate

CAS 2041583-40-6C₁₅H₁₇N₃O₅

1-(6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone chemical structure, C15H15N3O, CAS 1213781-59-9

1-(6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone

CAS 1213781-59-9C₁₅H₁₅N₃O

$(1R,12S)-5,8,14-Triazatetracyclo[10.3.1.0^{2,11}.0^{4,9}]hexadeca-2,4,6,8,10-pentaene, (2S,3S)-2,3-dihydroxybutanedioic acid chemical structure, C17H19N3O6, CAS 2093486-71-4$

(1R,12S)-5,8,14-Triazatetracyclo[10.3.1.0^{2,11}.0^{4,9}]hexadeca-2,4,6,8,10-pentaene, (2S,3S)-2,3-dihydroxybutanedioic acid

CAS 2093486-71-4C₁₇H₁₉N₃O₆