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Murcko scaffold

Ring system with 3 rings and 18 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
9
With full pages
4
Scaffold SMILES

O=C(NCC1OCCC2OCOC21)C1CCCN1

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 O=C(NCC1OCCC2OCOC21)C1CCCN1

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 9 of 9 chemicals

N-[2-chloro-1-(7-hydroxy-2,2-dimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide chemical structure, C21H37ClN2O5S
N-[2-chloro-1-(7-hydroxy-2,2-dimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
C21H37ClN2O5S
Methyl trans-alpha-6,8-Dideoxy-3,4-O-isopropylidene-6-(1-Methyl-4-propyl-L-2-pyrrolidinecarboxaMido)-1-t chemical structure, C21H38N2O6S, CAS 17017-21-9
Methyl trans-alpha-6,8-Dideoxy-3,4-O-isopropylidene-6-(1-Methyl-4-propyl-L-2-pyrrolidinecarboxaMido)-1-t
CAS 17017-21-9C21H38N2O6S
RefChem:817493 chemical structure, C21H37ClN2O5S, CAS 147650-54-2
RefChem:817493
CAS 147650-54-2C21H37ClN2O5S
3,4-O-Isopropylidenelincomycin chemical structure, C21H38N2O6S, CAS 24699-08-9
3,4-O-Isopropylidenelincomycin
CAS 24699-08-9C21H38N2O6S
3,4-O-Isopropylidene clindamycin chemical structure, C21H37ClN2O5S
3,4-O-Isopropylidene clindamycin
C21H37ClN2O5S
3,4-O-Isopropylidene Clindamycin 2-[Bis(2,2,2-trichloroethyl)phosphate] chemical structure, C25H40Cl7N2O8PS, CAS 147621-30-5
3,4-O-Isopropylidene Clindamycin 2-[Bis(2,2,2-trichloroethyl)phosphate]
CAS 147621-30-5C25H40Cl7N2O8PS
RefChem:798134 chemical structure, C21H38Cl2N2O5S, CAS 124547-63-3
RefChem:798134
CAS 124547-63-3C21H38Cl2N2O5S
Acetonide clindamycin palmitate chemical structure, C37H67ClN2O6S, CAS 906126-31-6
Acetonide clindamycin palmitate
CAS 906126-31-6C37H67ClN2O6S
Clindamycin impurity 177 chemical structure, C21H37ClN2O5S
Clindamycin impurity 177
C21H37ClN2O5S