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Murcko scaffold

Ring system with 2 rings and 11 atoms

21 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
21
With full pages
3
Scaffold SMILES

c1ccc2c(c1)COCOC2

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 c1ccc2c(c1)COCOC2

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 21 of 21 chemicals

(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine chemical structure, C14H21NO2, CAS 435345-27-0
(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine
CAS 435345-27-0C14H21NO2
3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine chemical structure, C10H11BrO2, CAS 94267-82-0
3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine
CAS 94267-82-0C10H11BrO2
N-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)-N-ethylethanamine chemical structure, C14H21NO2, CAS 364595-92-6
N-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)-N-ethylethanamine
CAS 364595-92-6C14H21NO2
Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine chemical structure, C13H17NO2, CAS 381172-70-9
Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine
CAS 381172-70-9C13H17NO2
N-((1,5-Dihydrobenzo[e][1,3]dioxepin-3-yl)methyl)-3-methylbutan-1-amine chemical structure, C15H23NO2, CAS 510759-00-9
N-((1,5-Dihydrobenzo[e][1,3]dioxepin-3-yl)methyl)-3-methylbutan-1-amine
CAS 510759-00-9C15H23NO2
3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine chemical structure, C12H15BrO2, CAS 322408-29-7
3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine
CAS 322408-29-7C12H15BrO2
1,5-Dihydro-3-methoxy-2,4-benzodioxepin chemical structure, C10H12O3, CAS 67461-24-9
1,5-Dihydro-3-methoxy-2,4-benzodioxepin
CAS 67461-24-9C10H12O3
1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl(2-methylpropyl)azanium chemical structure, C14H22NO2+
1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl(2-methylpropyl)azanium
C14H22NO2+
1,5-Dihydro-2,4-benzodioxepin-7-ylhydrazine chemical structure, C9H12N2O2, CAS 915921-13-0
1,5-Dihydro-2,4-benzodioxepin-7-ylhydrazine
CAS 915921-13-0C9H12N2O2
(1S)-1-(1,5-Dihydro-2,4-benzodioxepin-3-yl)ethane-1,2-diol chemical structure, C11H14O4, CAS 142235-22-1
(1S)-1-(1,5-Dihydro-2,4-benzodioxepin-3-yl)ethane-1,2-diol
CAS 142235-22-1C11H14O4
2,4-Benzodioxepin,3-ethenyl-1,5-dihydro- chemical structure, C11H12O2, CAS 142169-23-1
2,4-Benzodioxepin,3-ethenyl-1,5-dihydro-
CAS 142169-23-1C11H12O2
(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-yl-methyl)-(3-methyl-butyl)-amine hydrochloride chemical structure, C15H24ClNO2, CAS 1049741-49-2
(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-yl-methyl)-(3-methyl-butyl)-amine hydrochloride
CAS 1049741-49-2C15H24ClNO2
3-tert-Butyl-1,5-dihydro-3H-2,4-benzodioxepine chemical structure, C13H18O2, CAS 73777-18-1
3-tert-Butyl-1,5-dihydro-3H-2,4-benzodioxepine
CAS 73777-18-1C13H18O2
3-(Propan-2-yl)-1,5-dihydro-3H-2,4-benzodioxepine chemical structure, C12H16O2, CAS 65774-87-0
3-(Propan-2-yl)-1,5-dihydro-3H-2,4-benzodioxepine
CAS 65774-87-0C12H16O2
1,1-Dimethyl-1,5-dihydro-3H-2,4-benzodioxepine chemical structure, C11H14O2, CAS 105608-58-0
1,1-Dimethyl-1,5-dihydro-3H-2,4-benzodioxepine
CAS 105608-58-0C11H14O2
3-tert-Butyl-1,1-dimethyl-1,5-dihydro-3H-2,4-benzodioxepine chemical structure, C15H22O2, CAS 105608-62-6
3-tert-Butyl-1,1-dimethyl-1,5-dihydro-3H-2,4-benzodioxepine
CAS 105608-62-6C15H22O2
3,3-Dimethyl-1,5-dihydro-3H-2,4-benzodioxepine chemical structure, C11H14O2, CAS 14198-77-7
3,3-Dimethyl-1,5-dihydro-3H-2,4-benzodioxepine
CAS 14198-77-7C11H14O2
N-((1,5-Dihydrobenzo[e][1,3]dioxepin-3-yl)methyl)-2-methylpropan-1-amine hydrochloride chemical structure, C14H22ClNO2
N-((1,5-Dihydrobenzo[e][1,3]dioxepin-3-yl)methyl)-2-methylpropan-1-amine hydrochloride
C14H22ClNO2
Allyl-(5,9-dihydro-6,8-dioxa-benzocyclo-hepten-7-ylmethyl)-amine hydrochloride chemical structure, C13H18ClNO2, CAS 1185303-11-0
Allyl-(5,9-dihydro-6,8-dioxa-benzocyclo-hepten-7-ylmethyl)-amine hydrochloride
CAS 1185303-11-0C13H18ClNO2
1,5-Dihydro-2,4-benzodioxepin-7-ylhydrazine hydrochloride chemical structure, C9H13ClN2O2, CAS 1303994-02-6
1,5-Dihydro-2,4-benzodioxepin-7-ylhydrazine hydrochloride
CAS 1303994-02-6C9H13ClN2O2
6,7,8,9-Tetrachloro-1,5-dihydro-3H-2,4-benzodioxepine chemical structure, C9H6Cl4O2, CAS 87689-16-5
6,7,8,9-Tetrachloro-1,5-dihydro-3H-2,4-benzodioxepine
CAS 87689-16-5C9H6Cl4O2