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Murcko scaffold

Ring system with 5 rings and 31 atoms

21 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 31
Chemicals: 21
With full pages: 6

Scaffold SMILES

c1ccc(C2(Cn3ccnc3)OCC(COc3ccc(N4CCNCC4)cc3)O2)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(C2(Cn3ccnc3)OCC(COc3ccc(N4CCNCC4)cc3)O2)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 21 of 21 chemicals

Ketoconazole chemical structure, C26H28Cl2N4O4, CAS 65277-42-1

CAS 65277-42-1C₂₆H₂₈Cl₂N₄O₄

1-(4-{[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine chemical structure, C24H26Cl2N4O3, CAS 1621914-80-4

1-(4-{[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

CAS 1621914-80-4C₂₄H₂₆Cl₂N₄O₃

Dichlorophenyl imidazoldioxolan chemical structure, C27H30Cl2N4O5, CAS 67914-69-6

Dichlorophenyl imidazoldioxolan

CAS 67914-69-6C₂₇H₃₀Cl₂N₄O₅

(2R,4S)-Ketoconazole chemical structure, C26H28Cl2N4O4, CAS 142128-59-4

(2R,4S)-Ketoconazole

CAS 142128-59-4C₂₆H₂₈Cl₂N₄O₄

(2S,4S)-Ketoconazole chemical structure, C26H28Cl2N4O4, CAS 142128-60-7

(2S,4S)-Ketoconazole

CAS 142128-60-7C₂₆H₂₈Cl₂N₄O₄

Ketoconazole oleate chemical structure, C42H58Cl2N4O4, CAS 121917-58-6

Ketoconazole oleate

CAS 121917-58-6C₄₂H₅₈Cl₂N₄O₄

1-(4-((2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine chemical structure, C24H26Cl2N4O3, CAS 89929-33-9

1-(4-((2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine

CAS 89929-33-9C₂₄H₂₆Cl₂N₄O₃

trans-Ketoconazole chemical structure, C26H28Cl2N4O4, CAS 83374-59-8

trans-Ketoconazole

CAS 83374-59-8C₂₆H₂₈Cl₂N₄O₄

1-[4-[[(2R,4R)-2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine, rel- chemical structure, C24H26Cl2N4O3, CAS 133345-17-2

1-[4-[[(2R,4R)-2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine, rel-

CAS 133345-17-2C₂₄H₂₆Cl₂N₄O₃

Deacetylketoconazole chemical structure, C24H26Cl2N4O3, CAS 67914-61-8

Deacetylketoconazole

CAS 67914-61-8C₂₄H₂₆Cl₂N₄O₃

Ketoconazole-d8 chemical structure, C26H28Cl2N4O4, CAS 1217706-96-1

Ketoconazole-d8

CAS 1217706-96-1C₂₆H₂₈Cl₂N₄O₄

Deacetyl ketoconazole-d8 chemical structure, C24H26Cl2N4O3, CAS 1346602-18-3

Deacetyl ketoconazole-d8

CAS 1346602-18-3C₂₄H₂₆Cl₂N₄O₃

Ketoconazole-D3 chemical structure, C26H28Cl2N4O4, CAS 1217766-70-5

Ketoconazole-D3

CAS 1217766-70-5C₂₆H₂₈Cl₂N₄O₄

Ketoconazole-d4 chemical structure, C26H28Cl2N4O4, CAS 1398065-75-2

Ketoconazole-d4

CAS 1398065-75-2C₂₆H₂₈Cl₂N₄O₄

Ketoconazole N-oxide chemical structure, C26H28Cl2N4O5, CAS 254912-65-7

Ketoconazole N-oxide

CAS 254912-65-7C₂₆H₂₈Cl₂N₄O₅

Ketoconazole dihydrochloride chemical structure, C26H30Cl4N4O4, CAS 67915-60-0

Ketoconazole dihydrochloride

CAS 67915-60-0C₂₆H₃₀Cl₄N₄O₄

Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(2-methyl-1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]- chemical structure, C27H30Cl2N4O4, CAS 2247532-52-9

Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(2-methyl-1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-

CAS 2247532-52-9C₂₇H₃₀Cl₂N₄O₄

1-Piperazinecarbothioamide, 4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-methyl-, cis- chemical structure, C26H29Cl2N5O3S, CAS 67914-62-9

1-Piperazinecarbothioamide, 4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-methyl-, cis-

CAS 67914-62-9C₂₆H₂₉Cl₂N₅O₃S

5-[2-(2-Butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone chemical structure, C45H58Cl2N4O9, CAS 850456-71-2

5-[2-(2-Butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

CAS 850456-71-2C₄₅H₅₈Cl₂N₄O₉

1-[4-[4-[[(2S,4R)-2-(2-Chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone chemical structure, C26H29ClN4O4, CAS 1334423-12-9

1-[4-[4-[[(2S,4R)-2-(2-Chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

CAS 1334423-12-9C₂₆H₂₉ClN₄O₄

1-[4-[4-[[(2S,4R)-2-(4-Chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone chemical structure, C26H29ClN4O4, CAS 91458-32-1

1-[4-[4-[[(2S,4R)-2-(4-Chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

CAS 91458-32-1C₂₆H₂₉ClN₄O₄