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Murcko scaffold

Ring system with 3 rings and 24 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
4
With full pages
0
Scaffold SMILES

O=C(NCCCNc1ccnc(Nc2ccccc2)n1)C1CCC1

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(NCCCNc1ccnc(Nc2ccccc2)n1)C1CCC1

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

2-[3-[4-[3-[4-[[5-Bromo-4-[3-[cyclobutanecarbonyl(methyl)amino]propylamino]pyrimidin-2-yl]amino]phenoxy]propoxy]butoxy]propoxy]acetic acid chemical structure, C31H46BrN5O7, CAS 2052306-12-2
2-[3-[4-[3-[4-[[5-Bromo-4-[3-[cyclobutanecarbonyl(methyl)amino]propylamino]pyrimidin-2-yl]amino]phenoxy]propoxy]butoxy]propoxy]acetic acid
CAS 2052306-12-2C31H46BrN5O7
N-[3-[[5-Bromo-2-(4-ethoxyanilino)pyrimidin-4-yl]amino]propyl]-N-methylcyclobutanecarboxamide chemical structure, C21H28BrN5O2, CAS 2052306-16-6
N-[3-[[5-Bromo-2-(4-ethoxyanilino)pyrimidin-4-yl]amino]propyl]-N-methylcyclobutanecarboxamide
CAS 2052306-16-6C21H28BrN5O2
N-{3-[(2-{[4-(2-Aminoethyl)phenyl]amino}-5-bromopyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide chemical structure, C20H27BrN6O, CAS 2803823-64-3
N-{3-[(2-{[4-(2-Aminoethyl)phenyl]amino}-5-bromopyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
CAS 2803823-64-3C20H27BrN6O
Orb3235935 chemical structure, C19H24BrN5O2, CAS 2115897-10-2
Orb3235935
CAS 2115897-10-2C19H24BrN5O2