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Murcko scaffold

Ring system with 2 rings and 13 atoms

9 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
9
With full pages
3
Scaffold SMILES

O=c1[nH]cncc1C[n+]1ccsc1

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=c1[nH]cncc1C[n+]1ccsc1

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

Hydroxythiamine chemical structure, C12H16ClN3O2S, CAS 582-36-5
Hydroxythiamine
CAS 582-36-5C12H16ClN3O2S
Oxythiamine chemical structure, C12H16N3O2S+, CAS 136-16-3
Oxythiamine
CAS 136-16-3C12H16N3O2S+
Thiazolium, 3-((1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1) chemical structure, C12H17Cl2N3O2S, CAS 614-05-1
Thiazolium, 3-((1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)
CAS 614-05-1C12H17Cl2N3O2S
3-(2,2-Dichlorodiethyl)aminopropionic acid oxythiamine ester chemical structure, C19H27Cl2N4O3S+, CAS 81575-46-4
3-(2,2-Dichlorodiethyl)aminopropionic acid oxythiamine ester
CAS 81575-46-4C19H27Cl2N4O3S+
Oxythiamine bromide monohydrobromide chemical structure, C12H17Br2N3O2S, CAS 108051-45-2
Oxythiamine bromide monohydrobromide
CAS 108051-45-2C12H17Br2N3O2S
4-Methyl-3-((2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chemical structure, C12H17N3O5PS+, CAS 56435-23-5
4-Methyl-3-((2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-5-(2-(phosphonooxy)ethyl)thiazol-3-ium
CAS 56435-23-5C12H17N3O5PS+
Oxythiamine diphosphate chemical structure, C12H17N3O8P2S, CAS 10497-04-8
Oxythiamine diphosphate
CAS 10497-04-8C12H17N3O8P2S
Oxythiamine monophosphate chemical structure, C12H16N3O5PS, CAS 10496-64-7
Oxythiamine monophosphate
CAS 10496-64-7C12H16N3O5PS
4-Methyl-3-((2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chloride chemical structure, C12H17ClN3O5PS, CAS 76780-17-1
4-Methyl-3-((2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chloride
CAS 76780-17-1C12H17ClN3O5PS