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Murcko scaffold

Ring system with 5 rings and 28 atoms

16 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
16
With full pages
2
Scaffold SMILES

c1ccc2c(CCCCN3CCN(c4ccc5occc5c4)CC3)c[nH]c2c1

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 c1ccc2c(CCCCN3CCN(c4ccc5occc5c4)CC3)c[nH]c2c1

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 16 of 16 chemicals

2-Benzofurancarboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, hydrochloride (1:1) chemical structure, C26H28ClN5O2, CAS 163521-08-2
2-Benzofurancarboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, hydrochloride (1:1)
CAS 163521-08-2C26H28ClN5O2
Vilazodone chemical structure, C26H27N5O2, CAS 163521-12-8
Vilazodone
CAS 163521-12-8C26H27N5O2
5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-2-benzofurancarboxylic acid chemical structure, C26H26N4O3, CAS 163521-19-5
5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-2-benzofurancarboxylic acid
CAS 163521-19-5C26H26N4O3
Vilazodone metabolite M13 chemical structure, C26H27N5O3, CAS 714950-70-6
Vilazodone metabolite M13
CAS 714950-70-6C26H27N5O3
Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate (dihydrochloride) chemical structure, C28H32Cl2N4O3, CAS 163521-09-3
Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate (dihydrochloride)
CAS 163521-09-3C28H32Cl2N4O3
Vilazodone ethyl ester chemical structure, C28H30N4O3, CAS 163521-11-7
Vilazodone ethyl ester
CAS 163521-11-7C28H30N4O3
Desaminocarbonyl vilazodone dihydrochloride chemical structure, C25H28Cl2N4O, CAS 765936-02-5
Desaminocarbonyl vilazodone dihydrochloride
CAS 765936-02-5C25H28Cl2N4O
3-[4-(4-Benzofuran-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile chemical structure, C25H26N4O, CAS 795266-89-6
3-[4-(4-Benzofuran-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile
CAS 795266-89-6C25H26N4O
Vilazodone methyl ester chemical structure, C27H28N4O3, CAS 1236722-93-2
Vilazodone methyl ester
CAS 1236722-93-2C27H28N4O3
Vilazodone-d8 chemical structure, C26H27N5O2, CAS 1794789-93-7
Vilazodone-d8
CAS 1794789-93-7C26H27N5O2
Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate hydrochloride chemical structure, C28H31ClN4O3, CAS 1422956-25-9
Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate hydrochloride
CAS 1422956-25-9C28H31ClN4O3
Vilazodone N-oxide chemical structure, C26H27N5O3, CAS 1622425-52-8
Vilazodone N-oxide
CAS 1622425-52-8C26H27N5O3
Vilazodone amide chemical structure, C26H29N5O3, CAS 1588795-58-7
Vilazodone amide
CAS 1588795-58-7C26H29N5O3
Vilazodone metabolite M11 chemical structure, C26H27N5O3, CAS 2230878-22-3
Vilazodone metabolite M11
CAS 2230878-22-3C26H27N5O3
Vilazodone isopropyl ester chemical structure, C29H32N4O3, CAS 1533456-99-3
Vilazodone isopropyl ester
CAS 1533456-99-3C29H32N4O3
Vilazodone methyl ester hydrochloride chemical structure, C27H29ClN4O3, CAS 1983197-00-7
Vilazodone methyl ester hydrochloride
CAS 1983197-00-7C27H29ClN4O3