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Murcko scaffold

N-([1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenylsulfanylpropanamide scaffold

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
5
With full pages
1
Scaffold SMILES

O=C(CCSc1ccccc1)Nc1nc2cc3c(cc2s1)OCO3

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 N-([1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenylsulfanylpropanamide page
Murcko scaffold O=C(CCSc1ccccc1)Nc1nc2cc3c(cc2s1)OCO3

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 5 of 5 chemicals

N-([1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenylsulfanylpropanamide chemical structure, C17H14N2O3S2, CAS 892854-04-5
N-([1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenylsulfanylpropanamide
CAS 892854-04-5C17H14N2O3S2
N-[3-(Dimethylamino)propyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-3-(phenylsulfanyl)propanamide hydrochloride chemical structure, C22H26ClN3O3S2, CAS 1052538-09-6
N-[3-(Dimethylamino)propyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-3-(phenylsulfanyl)propanamide hydrochloride
CAS 1052538-09-6C22H26ClN3O3S2
N-[2-(Dimethylamino)ethyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-3-(phenylsulfanyl)propanamide hydrochloride chemical structure, C21H24ClN3O3S2, CAS 1216500-51-4
N-[2-(Dimethylamino)ethyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-3-(phenylsulfanyl)propanamide hydrochloride
CAS 1216500-51-4C21H24ClN3O3S2
N-{4,6-Dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-3-[(4-methoxyphenyl)sulfanyl]propanamide chemical structure, C18H16N2O4S2, CAS 942007-14-9
N-{4,6-Dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-3-[(4-methoxyphenyl)sulfanyl]propanamide
CAS 942007-14-9C18H16N2O4S2
(Z)-3-((4-Fluorophenyl)thio)-N-(7-(2-(methylthio)ethyl)-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-ylidene)propanamide chemical structure, C20H19FN2O3S3, CAS 1007026-56-3
(Z)-3-((4-Fluorophenyl)thio)-N-(7-(2-(methylthio)ethyl)-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-ylidene)propanamide
CAS 1007026-56-3C20H19FN2O3S3