Murcko scaffold
Ring system with 4 rings and 25 atoms
7 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 25
- Chemicals
- 7
- With full pages
- 3
Scaffold SMILES
O=C(c1ccccc1Nc1ccccc1)N1CC(C2CCCCN2)C1
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 7 of 7 chemicals
Cobimetinib
CAS 934660-93-2C21H21F3IN3O2
Cobimetinib (R-enantiomer)
CAS 934660-94-3C21H21F3IN3O2
Cobimetinib (racemate)
CAS 934662-91-6C21H21F3IN3O2
1,1-Dimethylethyl (2S)-2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxy-3-azetidinyl)-1-piperidinecarboxylate
CAS 934663-52-2C26H29F3IN3O4
![1-Piperidinecarboxylic acid, 2-[1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoyl]-3-hydroxy-3-azetidinyl]-, 1,1-dimethylethyl ester, (2R)- chemical structure, C26H29F3IN3O4, CAS 934665-56-2](/s/MBDPIJDSBJZNGV-HXUWFJFHSA-N.svg)
1-Piperidinecarboxylic acid, 2-[1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoyl]-3-hydroxy-3-azetidinyl]-, 1,1-dimethylethyl ester, (2R)-
CAS 934665-56-2C26H29F3IN3O4
Cobimetinib fumarate
CAS 1369665-02-0C46H46F6I2N6O8
tert-Butyl 2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
CAS 1415559-49-7C26H29F3IN3O4