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Murcko scaffold

Ring system with 3 rings and 19 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
8
With full pages
2
Scaffold SMILES

N=C(Cc1c[nH]c2ccccc12)SC1CCCCO1

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 N=C(Cc1c[nH]c2ccccc12)SC1CCCCO1

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 8 of 8 chemicals

(N-Sulfoindol-3-yl)methylglucosinolate chemical structure, C16H20N2O12S3, CAS 29702-28-1
(N-Sulfoindol-3-yl)methylglucosinolate
CAS 29702-28-1C16H20N2O12S3
Glucobrassicin chemical structure, C16H20N2O9S2, CAS 4356-52-9
Glucobrassicin
CAS 4356-52-9C16H20N2O9S2
4-Hydroxyglucobrassicin chemical structure, C16H20N2O10S2, CAS 83327-20-2
4-Hydroxyglucobrassicin
CAS 83327-20-2C16H20N2O10S2
4-Methoxyglucobrassicin chemical structure, C17H22N2O10S2, CAS 83327-21-3
4-Methoxyglucobrassicin
CAS 83327-21-3C17H22N2O10S2
Neoglucobrassicin chemical structure, C17H22N2O10S2, CAS 5187-84-8
Neoglucobrassicin
CAS 5187-84-8C17H22N2O10S2
Glucobrassicin(1-) chemical structure, C16H19N2O9S2-, CAS 47628-38-6
Glucobrassicin(1-)
CAS 47628-38-6C16H19N2O9S2-
Potassium (2-(1-methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino sulfate chemical structure, C17H21KN2O10S2, CAS 1258955-67-7
Potassium (2-(1-methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino sulfate
CAS 1258955-67-7C17H21KN2O10S2
1-S-[N-Hydroxy-2-(1H-indol-3-yl)ethanimidoyl]-1-thio-beta-D-glucopyranose chemical structure, C16H20N2O6S, CAS 43110-92-5
1-S-[N-Hydroxy-2-(1H-indol-3-yl)ethanimidoyl]-1-thio-beta-D-glucopyranose
CAS 43110-92-5C16H20N2O6S