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Murcko scaffold

Ring system with 4 rings and 28 atoms

3 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
3
With full pages
2
Scaffold SMILES

O=C(Nc1ccccc1)NC1CN(C2CCCCC2)c2ccccc2NC1=O

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(Nc1ccccc1)NC1CN(C2CCCCC2)c2ccccc2NC1=O

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 3 of 3 chemicals

3-[[(3R)-1-Cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid chemical structure, C29H36N4O5, CAS 209219-38-5
3-[[(3R)-1-Cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
CAS 209219-38-5C29H36N4O5
Calcium bis((R)-(-)-3-(3-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo(b)(1,4)diazepin-3-yl)ureido)benzoate) chemical structure, C58H70CaN8O10, CAS 343326-69-2
Calcium bis((R)-(-)-3-(3-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo(b)(1,4)diazepin-3-yl)ureido)benzoate)
CAS 343326-69-2C58H70CaN8O10
CCK2R Ligand-Linker Conjugates 1 chemical structure, C72H110N12O27S, CAS 1452145-13-9
CCK2R Ligand-Linker Conjugates 1
CAS 1452145-13-9C72H110N12O27S