CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 30 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
30
Chemicals
5
With full pages
2
Scaffold SMILES

O=c1[nH]cnc2ncc(CNc3ccc(CCCCCOC4CCCO4)cc3)nc12

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=c1[nH]cnc2ncc(CNc3ccc(CCCCCOC4CCCO4)cc3)nc12

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 5 of 5 chemicals

Methanopterin chemical structure, C30H41N6O16P, CAS 79484-89-2
Methanopterin
CAS 79484-89-2C30H41N6O16P
(2S)-2-[[(2S)-2-[[2-[[5-[5-[4-[1-(2-Amino-4-oxo-3H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid chemical structure, C38H51N8O22P, CAS 126026-65-1
(2S)-2-[[(2S)-2-[[2-[[5-[5-[4-[1-(2-Amino-4-oxo-3H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CAS 126026-65-1C38H51N8O22P
Sarcinapterin chemical structure, C35H48N7O19P, CAS 89157-12-0
Sarcinapterin
CAS 89157-12-0C35H48N7O19P
1-(4-((1-(2-Amino-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-1-deoxy-(1-ribofuranosyl)ribitol chemical structure, C25H34N6O9, CAS 150473-01-1
1-(4-((1-(2-Amino-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-1-deoxy-(1-ribofuranosyl)ribitol
CAS 150473-01-1C25H34N6O9
Tatiopterin chemical structure, C38H51N8O22P, CAS 125794-90-3
Tatiopterin
CAS 125794-90-3C38H51N8O22P