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Murcko scaffold

Ring system with 3 rings and 24 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
8
With full pages
2
Scaffold SMILES

O=C1CCCC(=O)N1CCCCN1CCN(c2ncccn2)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=C1CCCC(=O)N1CCCCN1CCN(c2ncccn2)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 8 of 8 chemicals

Gepirone monohydrochloride chemical structure, C19H30ClN5O2, CAS 83928-66-9
Gepirone monohydrochloride
CAS 83928-66-9C19H30ClN5O2
Gepirone chemical structure, C19H29N5O2, CAS 83928-76-1
Gepirone
CAS 83928-76-1C19H29N5O2
3-Hydroxygepirone chemical structure, C19H29N5O3, CAS 345894-78-2
3-Hydroxygepirone
CAS 345894-78-2C19H29N5O3
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione chemical structure, C19H28FN5O2, CAS 87789-64-8
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CAS 87789-64-8C19H28FN5O2
Gepirone-d8 chemical structure, C19H29N5O2, CAS 2749331-28-8
Gepirone-d8
CAS 2749331-28-8C19H29N5O2
3,3-Dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2,6-piperidinedione chemical structure, C19H29N5O2, CAS 1185079-65-5
3,3-Dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2,6-piperidinedione
CAS 1185079-65-5C19H29N5O2
(R)-3-Hydroxygepirone chemical structure, C19H29N5O3, CAS 477930-32-8
(R)-3-Hydroxygepirone
CAS 477930-32-8C19H29N5O3
(S)-3-Hydroxygepirone chemical structure, C19H29N5O3, CAS 477930-33-9
(S)-3-Hydroxygepirone
CAS 477930-33-9C19H29N5O3