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Murcko scaffold

Ring system with 4 rings and 25 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
5
With full pages
3
Scaffold SMILES

O=C(COc1ccc2[nH]ccc2c1)N1CCN(c2ccccc2)CC1

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(COc1ccc2[nH]ccc2c1)N1CCN(c2ccccc2)CC1

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

RefChem:921434 chemical structure, C23H26ClN5O2, CAS 170911-68-9
RefChem:921434
CAS 170911-68-9C23H26ClN5O2
Donitriptan chemical structure, C23H25N5O2, CAS 170912-52-4
Donitriptan
CAS 170912-52-4C23H25N5O2
Donitriptan mesylate chemical structure, C24H29N5O5S, CAS 200615-15-2
Donitriptan mesylate
CAS 200615-15-2C24H29N5O5S
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-aminomethyl-phenyl)-piperazin-1-yl]-ethanone chemical structure, C23H29N5O2, CAS 170912-53-5
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-aminomethyl-phenyl)-piperazin-1-yl]-ethanone
CAS 170912-53-5C23H29N5O2
2-{[3-(2-Aminoethyl)-1H-indol-5-yl]oxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one chemical structure, C22H25N5O4, CAS 170912-03-5
2-{[3-(2-Aminoethyl)-1H-indol-5-yl]oxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
CAS 170912-03-5C22H25N5O4