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Murcko scaffold

2-(Azepan-1-yl)-2-oxoethyl benzoate scaffold

9 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
19
Chemicals
9
With full pages
7
Scaffold SMILES

O=C(OCC(=O)N1CCCCCC1)c1ccccc1

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 2-(Azepan-1-yl)-2-oxoethyl benzoate page
Murcko scaffold O=C(OCC(=O)N1CCCCCC1)c1ccccc1

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 9 of 9 chemicals

2-(Azepan-1-yl)-2-oxoethyl benzoate chemical structure, C15H19NO3, CAS 115178-68-2
2-(Azepan-1-yl)-2-oxoethyl benzoate
CAS 115178-68-2C15H19NO3
[2-(Azepan-1-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate chemical structure, C15H17ClN2O5, CAS 736957-14-5
[2-(Azepan-1-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CAS 736957-14-5C15H17ClN2O5
2-(Azepan-1-yl)-2-oxoethyl 4-formylbenzoate chemical structure, C16H19NO4, CAS 721896-98-6
2-(Azepan-1-yl)-2-oxoethyl 4-formylbenzoate
CAS 721896-98-6C16H19NO4
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate chemical structure, C16H21NO4, CAS 732257-65-7
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CAS 732257-65-7C16H21NO4
[2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate chemical structure, C17H23NO3, CAS 479521-69-2
[2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate
CAS 479521-69-2C17H23NO3
[2-(Azepan-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate chemical structure, C17H24N2O3, CAS 481036-13-9
[2-(Azepan-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CAS 481036-13-9C17H24N2O3
[2-(Azepan-1-yl)-2-oxoethyl] 4-butoxybenzoate chemical structure, C19H27NO4, CAS 733027-37-7
[2-(Azepan-1-yl)-2-oxoethyl] 4-butoxybenzoate
CAS 733027-37-7C19H27NO4
[2-(Azepan-1-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate chemical structure, C15H19ClN2O3, CAS 566904-69-6
[2-(Azepan-1-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CAS 566904-69-6C15H19ClN2O3
[2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate chemical structure, C15H17F2NO3, CAS 848339-50-4
[2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate
CAS 848339-50-4C15H17F2NO3