Murcko scaffold
Ring system with 4 rings and 26 atoms
12 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 26
- Chemicals
- 12
- With full pages
- 2
Scaffold SMILES
O=C1CCC2(CCC(COCc3ccccc3)(c3ccccc3)NC2)N1
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.
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 12 of 12 chemicals
Rolapitant
CAS 552292-08-7C25H26F6N2O2
Rolapitant hydrochloride
CAS 914462-92-3C25H29ClF6N2O3
Rolapitant (1R,2S,3R)-isomer
CAS 552292-73-6C25H26F6N2O2
Rolapitant (hydrochloride)
CAS 858102-79-1C25H27ClF6N2O2
Rolapitant (1R,2R,3S)-isomer
CAS 1214741-25-9C25H26F6N2O2
Rolapitant (1R,2R,3R)-isomer
CAS 1214741-26-0C25H26F6N2O2
Rolapitant impurity 7
CAS 1214741-29-3C25H26F6N2O2
Rolapitant (1S,2R,3R)-isomer
CAS 1214741-30-6C25H26F6N2O2
Rolapitant (1S,2S,3S)-isomer
CAS 1214741-27-1C25H26F6N2O2
Rolapitant impurity 1
CAS 1214741-28-2C25H26F6N2O2
Rolapitant metabolite M19
CAS 2238886-63-8C25H26F6N2O3
Fosrolapitant
CAS 2573694-38-7C27H29F6N2O8P