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Murcko scaffold

Ring system with 3 rings and 26 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
26
Chemicals
4
With full pages
0
Scaffold SMILES

O=C(CCCc1ccccc1)NCC1CCC(n2ccc(=O)[nH]c2=O)O1

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(CCCc1ccccc1)NCC1CCC(n2ccc(=O)[nH]c2=O)O1

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 4 of 4 chemicals

Nikkomycin B chemical structure, C21H26N4O10, CAS 74342-20-4
Nikkomycin B
CAS 74342-20-4C21H26N4O10
(2S)-2-[[(2S)-2-Amino-4-phenyl-butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid chemical structure, C20H24N4O8, CAS 86632-63-5
(2S)-2-[[(2S)-2-Amino-4-phenyl-butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
CAS 86632-63-5C20H24N4O8
1-(5'-(((2S,3R)-3-Hydroxyhomotyrosyl)amino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil chemical structure, C20H24N4O10, CAS 93806-77-0
1-(5'-(((2S,3R)-3-Hydroxyhomotyrosyl)amino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil
CAS 93806-77-0C20H24N4O10
Uridine, 2',5'-dideoxy-5-ethyl-5'-[(1-oxo-4-phenylbutyl)amino]- chemical structure, C21H27N3O5, CAS 119423-15-3
Uridine, 2',5'-dideoxy-5-ethyl-5'-[(1-oxo-4-phenylbutyl)amino]-
CAS 119423-15-3C21H27N3O5