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Murcko scaffold

Ring system with 3 rings and 21 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
6
With full pages
0
Scaffold SMILES

C=C1CN(C(=O)CC2CCC(n3ccc(=O)[nH]c3=O)O2)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.

Substructure search with this scaffold
Murcko scaffold C=C1CN(C(=O)CC2CCC(n3ccc(=O)[nH]c3=O)O2)C1

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 6 of 6 chemicals

Orb3024035 chemical structure, C23H30N6O15
Orb3024035
C23H30N6O15
Orb3023888 chemical structure, C23H32N6O13
Orb3023888
C23H32N6O13
Polyoxin A chemical structure, C23H32N6O14, CAS 19396-03-3
Polyoxin A
CAS 19396-03-3C23H32N6O14
5-Pyrimidinecarboxylic acid, 1-(5-(2-amino-2-deoxy-L-xylonamido)-5-((2-carboxy-3-ethylidene-1-azetidinyl)carbonyl)-5-deoxy-beta-D-ribofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-, monocarbamate (ester) chemical structure, C23H30N6O15, CAS 23116-76-9
5-Pyrimidinecarboxylic acid, 1-(5-(2-amino-2-deoxy-L-xylonamido)-5-((2-carboxy-3-ethylidene-1-azetidinyl)carbonyl)-5-deoxy-beta-D-ribofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-, monocarbamate (ester)
CAS 23116-76-9C23H30N6O15
(S-(E))-1-(5-((2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-allofuranuronoyl)-3-ethylidene-2-azetidinecarboxylic acid chemical structure, C23H32N6O13, CAS 24695-54-3
(S-(E))-1-(5-((2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-allofuranuronoyl)-3-ethylidene-2-azetidinecarboxylic acid
CAS 24695-54-3C23H32N6O13
Polyoxin K chemical structure, C22H30N6O13, CAS 22886-46-0
Polyoxin K
CAS 22886-46-0C22H30N6O13