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Murcko scaffold

Brexpiprazole scaffold

14 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
14
With full pages
3
Scaffold SMILES

O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[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 scaffoldOpen the Brexpiprazole page
Murcko scaffold O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[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 14 of 14 chemicals

Brexpiprazole chemical structure, C25H27N3O2S, CAS 913611-97-9
Brexpiprazole
CAS 913611-97-9C25H27N3O2S
7-[4-(4-Benzo[b]thien-4-yl-1-piperazinyl)butoxy]-3-hydroxy-2(1H)-quinolinone chemical structure, C25H27N3O3S, CAS 1191900-55-6
7-[4-(4-Benzo[b]thien-4-yl-1-piperazinyl)butoxy]-3-hydroxy-2(1H)-quinolinone
CAS 1191900-55-6C25H27N3O3S
7-(4-(4-(7-Hydroxybenzothiophen-4-yl)piperazin-1-yl)butoxy)-1H-quinolin-2-one chemical structure, C25H27N3O3S, CAS 1191900-50-1
7-(4-(4-(7-Hydroxybenzothiophen-4-yl)piperazin-1-yl)butoxy)-1H-quinolin-2-one
CAS 1191900-50-1C25H27N3O3S
7-[4-(4-Benzo[b]thien-4-yl-1-piperazinyl)butoxy]-4-hydroxy-2(1H)-quinolinone chemical structure, C25H27N3O3S, CAS 1191900-57-8
7-[4-(4-Benzo[b]thien-4-yl-1-piperazinyl)butoxy]-4-hydroxy-2(1H)-quinolinone
CAS 1191900-57-8C25H27N3O3S
1-(Benzo(b)thiophen-4-yl)piperazine dihydrochloride chemical structure, C25H28ClN3O2S, CAS 913612-38-1
1-(Benzo(b)thiophen-4-yl)piperazine dihydrochloride
CAS 913612-38-1C25H28ClN3O2S
7-[4-[4-(1-Benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]butoxy]-1H-quinolin-2-one chemical structure, C25H27N3O2S, CAS 1427049-19-1
7-[4-[4-(1-Benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]butoxy]-1H-quinolin-2-one
CAS 1427049-19-1C25H27N3O2S
Brexpiprazole impurity 128 chemical structure, C26H29N3O3S, CAS 2400917-55-5
Brexpiprazole impurity 128
CAS 2400917-55-5C26H29N3O3S
(7-(4-(4-(Benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methyl hexadecyl carbonate chemical structure, C43H61N3O5S, CAS 1427046-85-2
(7-(4-(4-(Benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methyl hexadecyl carbonate
CAS 1427046-85-2C43H61N3O5S
(7-(4-(4-(Benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methyl octyl carbonate chemical structure, C35H45N3O5S, CAS 1427049-17-9
(7-(4-(4-(Benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methyl octyl carbonate
CAS 1427049-17-9C35H45N3O5S
Brexpiprazole N-oxide chemical structure, C25H27N3O3S, CAS 1191900-58-9
Brexpiprazole N-oxide
CAS 1191900-58-9C25H27N3O3S
Brexpiprazole Di-N-oxide chemical structure, C25H27N3O4S, CAS 2247155-42-4
Brexpiprazole Di-N-oxide
CAS 2247155-42-4C25H27N3O4S
Brexpiprazole impurity 57 chemical structure, C25H27N3O3S, CAS 2368233-78-5
Brexpiprazole impurity 57
CAS 2368233-78-5C25H27N3O3S
7-[4-[4-(7-Hydroxybenzo[b]thien-4-yl)-1-piperazinyl]butoxy]-2(1H)-quinolinone hydrochloride chemical structure, C25H28ClN3O3S, CAS 1191900-49-8
7-[4-[4-(7-Hydroxybenzo[b]thien-4-yl)-1-piperazinyl]butoxy]-2(1H)-quinolinone hydrochloride
CAS 1191900-49-8C25H28ClN3O3S
Brexpiprazole impurity 61 chemical structure, C29H34ClN3O2S, CAS 2749405-36-3
Brexpiprazole impurity 61
CAS 2749405-36-3C29H34ClN3O2S