CompoundList
Sign in
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
1
Scaffold SMILES

O=C(CCCc1ccccc1)NCCC(=O)Nc1ccc2ncsc2c1

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)NCCC(=O)Nc1ccc2ncsc2c1

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

{4-[4-({3-[(2-Methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid chemical structure, C25H27N3O6S, CAS 1370290-34-8
{4-[4-({3-[(2-Methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
CAS 1370290-34-8C25H27N3O6S
LDHA Inhibitor, 34 chemical structure, C27H31N3O6S2, CAS 1370290-35-9
LDHA Inhibitor, 34
CAS 1370290-35-9C27H31N3O6S2
Dimethyl 2-[[4-[4-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]amino]-4-oxobutyl]phenyl]methyl]propanedioate chemical structure, C27H31N3O6S, CAS 1391622-95-9
Dimethyl 2-[[4-[4-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]amino]-4-oxobutyl]phenyl]methyl]propanedioate
CAS 1391622-95-9C27H31N3O6S
LDHA inhibitor 35 chemical structure, C29H35N3O6S, CAS 1370290-53-1
LDHA inhibitor 35
CAS 1370290-53-1C29H35N3O6S