CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 26 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
5
With full pages
2
Scaffold SMILES

c1cc(-c2csc(NCC3CCOCC3)n2)cc(NC2CCCCC2)n1

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 c1cc(-c2csc(NCC3CCOCC3)n2)cc(NC2CCCCC2)n1

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

4-(((4-(5-Chloro-2-((trans-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile chemical structure, C24H33ClN6O2S, CAS 2247481-21-4
4-(((4-(5-Chloro-2-((trans-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile
CAS 2247481-21-4C24H33ClN6O2S
4-(((4-(5-Chloro-2-(((1S,4r)-4-(((S)-1-methoxypropan-2-yl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile chemical structure, C25H35ClN6O2S, CAS 2247481-22-5
4-(((4-(5-Chloro-2-(((1S,4r)-4-(((S)-1-methoxypropan-2-yl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile
CAS 2247481-22-5C25H35ClN6O2S
Tambiciclib chemical structure, C25H35ClN6O2S, CAS 2247481-08-7
Tambiciclib
CAS 2247481-08-7C25H35ClN6O2S
Cdk9-IN-31 chemical structure, C24H33ClN6O2S, CAS 2991074-93-0
Cdk9-IN-31
CAS 2991074-93-0C24H33ClN6O2S
JSH-0009 (dimaleate) chemical structure, C33H43ClN6O10S, CAS 2559759-04-3
JSH-0009 (dimaleate)
CAS 2559759-04-3C33H43ClN6O10S