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Murcko scaffold

Ring system with 3 rings and 24 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
6
With full pages
2
Scaffold SMILES

O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1

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(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1

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

4-Methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate chemical structure, C19H24N4O2, CAS 455265-31-3
4-Methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CAS 455265-31-3C19H24N4O2
Rislenemdaz chemical structure, C19H23FN4O2, CAS 808732-98-1
Rislenemdaz
CAS 808732-98-1C19H23FN4O2
1-Piperidinecarboxylic acid, 3-fluoro-4-((2-pyrimidinylamino)methyl)-, (4-methylphenyl)methyl ester, (3R,4S)- chemical structure, C19H23FN4O2, CAS 808732-99-2
1-Piperidinecarboxylic acid, 3-fluoro-4-((2-pyrimidinylamino)methyl)-, (4-methylphenyl)methyl ester, (3R,4S)-
CAS 808732-99-2C19H23FN4O2
MK-0657 racemate chemical structure, C19H23FN4O2, CAS 808733-05-3
MK-0657 racemate
CAS 808733-05-3C19H23FN4O2
4-Methylbenzyl (3S,4R)-3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate hydrochloride chemical structure, C19H24ClFN4O2, CAS 808733-06-4
4-Methylbenzyl (3S,4R)-3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate hydrochloride
CAS 808733-06-4C19H24ClFN4O2
4-Methylbenzyl (3S,4R)-3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate methanesulfonate chemical structure, C20H27FN4O5S, CAS 1893392-76-1
4-Methylbenzyl (3S,4R)-3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate methanesulfonate
CAS 1893392-76-1C20H27FN4O5S