CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 26 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
4
With full pages
1
Scaffold SMILES

O=S(=O)(c1ccc(C=Cc2nc3ccccc3[nH]2)cc1)N1CCCCC1

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=S(=O)(c1ccc(C=Cc2nc3ccccc3[nH]2)cc1)N1CCCCC1

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

(E)-2-(1-Methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-oxo-3-(4-(piperidin-1-ylsulfonyl)phenyl)propanenitrile chemical structure, C22H22N4O3S, CAS 1164481-73-5
(E)-2-(1-Methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-oxo-3-(4-(piperidin-1-ylsulfonyl)phenyl)propanenitrile
CAS 1164481-73-5C22H22N4O3S
(E)-3-(4-((3,5-Dimethylpiperidin-1-yl)sulfonyl)phenyl)-2-(1-methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile chemical structure, C24H26N4O3S, CAS 392323-87-4
(E)-3-(4-((3,5-Dimethylpiperidin-1-yl)sulfonyl)phenyl)-2-(1-methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile
CAS 392323-87-4C24H26N4O3S
(E)-2-(1-Methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-(4-((3-methylpiperidin-1-yl)sulfonyl)phenyl)-3-oxopropanenitrile chemical structure, C23H24N4O3S, CAS 683792-22-5
(E)-2-(1-Methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-(4-((3-methylpiperidin-1-yl)sulfonyl)phenyl)-3-oxopropanenitrile
CAS 683792-22-5C23H24N4O3S
(E)-2-(1-Methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-(4-((2-methylpiperidin-1-yl)sulfonyl)phenyl)-3-oxopropanenitrile chemical structure, C23H24N4O3S, CAS 683792-23-6
(E)-2-(1-Methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-(4-((2-methylpiperidin-1-yl)sulfonyl)phenyl)-3-oxopropanenitrile
CAS 683792-23-6C23H24N4O3S