Murcko scaffold
Ring system with 5 rings and 14 atoms
18 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 14
- Chemicals
- 18
- With full pages
- 4
Scaffold SMILES
C1=NCC2C3CC4CC2(CC(O4)O3)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 18 of 18 chemicals
(3H)-Lysine-tetrodotoxin
CAS 73600-92-7C17H29N5O9
Tetrodotoxin, 11-((carboxymethyl)amino)-11-deoxy-, labeled with tritium
CAS 73600-90-5C13H20N4O9
Tetrodotoxin, 11-deoxy-11-oxo-
CAS 73600-89-2C11H15N3O8
5,9:7,10a-Dimethano-10aH-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol, octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)-
CAS 81520-41-4C10H15N3O7
Chiridquitoxin
CAS 61132-15-8C13H20N4O10
6-Epitetrodotoxin
CAS 112318-40-8C11H17N3O8
11-Deoxytetrodotoxin
CAS 113564-23-1C11H17N3O7
6-Aminotetrodotoxin
CAS 77889-68-0C10H16N4O6
6-(Methylamino)tetrodotoxin
CAS 77889-75-9C11H18N4O6
Tetrodotoxin, O(sup 4)-methyl-
CAS 7724-39-2C12H19N3O8
11-Oxotetrodotoxin
CAS 123665-88-3C11H17N3O9
4-Epitetrodotoxin
CAS 98242-82-1C11H17N3O8
Tetrodotoxin
CAS 4368-28-9C11H17N3O8
Tetrodotoxin citrate
CAS 18660-81-6C17H25N3O15
11-Nortetrodotoxin
CAS 70170-72-8C10H16N3O7+
Tetrodaminotoxin
CAS 7724-38-1C11H18N4O7
11-Nortetrodotoxin-6(R)-ol
C10H15N3O7
11-Nortetrodotoxin-6(S)-ol
CAS 156336-07-1C10H15N3O7