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Murcko scaffold

Ring system with 3 rings and 20 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
5
With full pages
4
Scaffold SMILES

O=S(=O)(c1cccc2ccccc12)N1CCCNCC1

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)(c1cccc2ccccc12)N1CCCNCC1

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

5-Iodonaphthalene-1-sulfonyl homopiperazine chemical structure, C15H17IN2O2S, CAS 109376-83-2
5-Iodonaphthalene-1-sulfonyl homopiperazine
CAS 109376-83-2C15H17IN2O2S
ML-9 free base chemical structure, C15H17ClN2O2S, CAS 110448-31-2
ML-9 free base
CAS 110448-31-2C15H17ClN2O2S
1H-1,4-Diazepine, 1-((5-chloro-1-naphthalenyl)sulfonyl)hexahydro-, monohydrochloride chemical structure, C15H18Cl2N2O2S, CAS 105637-50-1
1H-1,4-Diazepine, 1-((5-chloro-1-naphthalenyl)sulfonyl)hexahydro-, monohydrochloride
CAS 105637-50-1C15H18Cl2N2O2S
1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride chemical structure, C15H18ClIN2O2S, CAS 110448-33-4
1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride
CAS 110448-33-4C15H18ClIN2O2S
tert-Butyl 4-((5-iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane-1-carboxylate chemical structure, C20H25IN2O4S, CAS 1951444-75-9
tert-Butyl 4-((5-iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane-1-carboxylate
CAS 1951444-75-9C20H25IN2O4S