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Murcko scaffold

Ring system with 3 rings and 23 atoms

10 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
10
With full pages
3
Scaffold SMILES

O=C(NCc1ccccc1)C1CCN1C(=O)CC1CCCCC1

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 O=C(NCc1ccccc1)C1CCN1C(=O)CC1CCCCC1

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 10 of 10 chemicals

Melagatran chemical structure, C22H31N5O4, CAS 159776-70-2
Melagatran
CAS 159776-70-2C22H31N5O4
Ximelagatran chemical structure, C24H35N5O5, CAS 192939-46-1
Ximelagatran
CAS 192939-46-1C24H35N5O5
Ethyl ((R)-1-cyclohexyl-2-((S)-2-((4-(N-hydroxycarbamimidoyl)benzyl)carbamoyl)azetidin-1-yl)-2-oxoethyl)glycinate chemical structure, C24H35N5O5, CAS 1027842-43-8
Ethyl ((R)-1-cyclohexyl-2-((S)-2-((4-(N-hydroxycarbamimidoyl)benzyl)carbamoyl)azetidin-1-yl)-2-oxoethyl)glycinate
CAS 1027842-43-8C24H35N5O5
N-Hydroxy melagatran chemical structure, C22H31N5O5, CAS 192939-72-3
N-Hydroxy melagatran
CAS 192939-72-3C22H31N5O5
Ximelagatran nitrile chemical structure, C24H32N4O4, CAS 260790-61-2
Ximelagatran nitrile
CAS 260790-61-2C24H32N4O4
Melagatran monohydrate chemical structure, C22H33N5O5, CAS 318245-80-6
Melagatran monohydrate
CAS 318245-80-6C22H33N5O5
1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide chemical structure, C20H26N4O2, CAS 1356010-93-9
1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide
CAS 1356010-93-9C20H26N4O2
1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-d11 chemical structure, C20H26N4O2, CAS 1356930-51-2
1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-d11
CAS 1356930-51-2C20H26N4O2
tert-Butyl N-[(1R)-2-[(2S)-2-[(4-cyanophenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate chemical structure, C25H34N4O4, CAS 1356848-29-7
tert-Butyl N-[(1R)-2-[(2S)-2-[(4-cyanophenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CAS 1356848-29-7C25H34N4O4
1-[(2R)-N'-Boc-2-amino-2-cyclohexylacetyl]-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-d11 chemical structure, C25H34N4O4, CAS 1356352-32-3
1-[(2R)-N'-Boc-2-amino-2-cyclohexylacetyl]-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-d11
CAS 1356352-32-3C25H34N4O4