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Murcko scaffold

Ring system with 6 rings and 28 atoms

6 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
28
Chemicals
6
With full pages
0
Scaffold SMILES

c1ccc(-c2c3ccc(=[N+]4CCC4)cc-3oc3cc(N4CCC4)ccc23)cc1

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 c1ccc(-c2c3ccc(=[N+]4CCC4)cc-3oc3cc(N4CCC4)ccc23)cc1

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

JF549 Tfa chemical structure, C29H23F3N2O7, CAS 2245946-45-4
JF549 Tfa
CAS 2245946-45-4C29H23F3N2O7
4-[2-[2-(6-Chlorohexoxy)ethoxy]ethylcarbamoyl]-2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate chemical structure, C37H38ClF4N3O6, CAS 1811539-37-3
4-[2-[2-(6-Chlorohexoxy)ethoxy]ethylcarbamoyl]-2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate
CAS 1811539-37-3C37H38ClF4N3O6
6-Carboxy-JF5252 chemical structure, C27H22N2O5, CAS 1811539-31-7
6-Carboxy-JF5252
CAS 1811539-31-7C27H22N2O5
2-[3-(Azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyl]benzoate chemical structure, C37H42ClN3O6, CAS 1811539-33-9
2-[3-(Azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyl]benzoate
CAS 1811539-33-9C37H42ClN3O6
2-[3-(Azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)-2,7-difluoroxanthen-9-yl]-4-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyl]benzoate chemical structure, C37H40ClF2N3O6, CAS 2634129-34-1
2-[3-(Azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)-2,7-difluoroxanthen-9-yl]-4-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyl]benzoate
CAS 2634129-34-1C37H40ClF2N3O6
JF526-Pepstatin A (TFA) chemical structure, C69H92F9N9O14, CAS 2410614-07-0
JF526-Pepstatin A (TFA)
CAS 2410614-07-0C69H92F9N9O14