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Murcko scaffold

Ring system with 5 rings and 31 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
8
With full pages
2
Scaffold SMILES

[N+]=c1ccc2c(-c3cccc(OCCOc4ccccc4)c3)c3ccccc3oc-2c1

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+]=c1ccc2c(-c3cccc(OCCOc4ccccc4)c3)c3ccccc3oc-2c1

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

Rhod-2 chemical structure, C40H43ClN4O11, CAS 132523-91-2
Rhod-2
CAS 132523-91-2C40H43ClN4O11
Rhod-2(1+) chemical structure, C52H59N4O19+, CAS 760144-46-5
Rhod-2(1+)
CAS 760144-46-5C52H59N4O19+
Rhod-2 dye chemical structure, C52H59BrN4O19, CAS 145037-81-6
Rhod-2 dye
CAS 145037-81-6C52H59BrN4O19
Rhod2/AM chemical structure, C51H57BrN4O19, CAS 129787-64-0
Rhod2/AM
CAS 129787-64-0C51H57BrN4O19
2,2'-((2-(2-(2-(Bis(carboxylatomethyl)amino)-5-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)phenoxy)ethoxy)-4-nitrophenyl)azanediyl)diacetate chemical structure, C39H36K3N5O13, CAS 888229-31-0
2,2'-((2-(2-(2-(Bis(carboxylatomethyl)amino)-5-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)phenoxy)ethoxy)-4-nitrophenyl)azanediyl)diacetate
CAS 888229-31-0C39H36K3N5O13
Rhod-2 (potassium salt) chemical structure, C40H39K3N4O11, CAS 663625-18-1
Rhod-2 (potassium salt)
CAS 663625-18-1C40H39K3N4O11
Rhod-FF (potassium salt) chemical structure, C39H35F2K3N4O11, CAS 945462-68-0
Rhod-FF (potassium salt)
CAS 945462-68-0C39H35F2K3N4O11
N-(2-(2-(2-(Bis(carboxymethyl)amino)-5-(3,6-bis(dimethylamino)xanthylium-9-yl)phenoxy)ethoxy)phenyl)-N-(carboxymethyl)glycinate chemical structure, C39H40N4O11, CAS 732956-70-6
N-(2-(2-(2-(Bis(carboxymethyl)amino)-5-(3,6-bis(dimethylamino)xanthylium-9-yl)phenoxy)ethoxy)phenyl)-N-(carboxymethyl)glycinate
CAS 732956-70-6C39H40N4O11