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Murcko scaffold

Ring system with 3 rings and 23 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
6
With full pages
3
Scaffold SMILES

O=C1NCC(c2cccs2)SCC1NCCCc1ccccc1

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=C1NCC(c2cccs2)SCC1NCCCc1ccccc1

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 6 of 6 chemicals

Temocaprilat chemical structure, C21H24N2O5S2, CAS 110221-53-9
Temocaprilat
CAS 110221-53-9C21H24N2O5S2
Temocapril hydrochloride chemical structure, C23H29ClN2O5S2, CAS 110221-44-8
Temocapril hydrochloride
CAS 110221-44-8C23H29ClN2O5S2
Temocapril chemical structure, C23H28N2O5S2, CAS 111902-57-9
Temocapril
CAS 111902-57-9C23H28N2O5S2
1,4-Thiazepine-4(5H)-acetic acid, 6-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, monohydrochloride, [2R-[2I+/-,6I+/-(S*)]]- chemical structure, C23H29ClN2O5S2, CAS 110221-45-9
1,4-Thiazepine-4(5H)-acetic acid, 6-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, monohydrochloride, [2R-[2I+/-,6I+/-(S*)]]-
CAS 110221-45-9C23H29ClN2O5S2
(S)-Ethyl 2-(((2S,6R)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl)amino)-4-phenylbutanoate chemical structure, C21H26N2O3S2, CAS 110143-57-2
(S)-Ethyl 2-(((2S,6R)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl)amino)-4-phenylbutanoate
CAS 110143-57-2C21H26N2O3S2
Temocapril-d5 chemical structure, C23H28N2O5S2, CAS 1356840-03-3
Temocapril-d5
CAS 1356840-03-3C23H28N2O5S2