CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 22 atoms

16 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
16
With full pages
1
Scaffold SMILES

c1ccc(CC2COCc3nn(-c4ccccc4)c[n+]32)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 c1ccc(CC2COCc3nn(-c4ccccc4)c[n+]32)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 16 of 16 chemicals

(S)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium chloride chemical structure, C18H18ClN3O, CAS 209859-25-6
(S)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium chloride
CAS 209859-25-6C18H18ClN3O
(S)-5-Benzyl-2-mesityl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium chloride chemical structure, C21H24ClN3O, CAS 1276429-72-1
(S)-5-Benzyl-2-mesityl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium chloride
CAS 1276429-72-1C21H24ClN3O
(S)-5-Benzyl-2-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate chemical structure, C18H18BF4N3O, CAS 464174-87-6
(S)-5-Benzyl-2-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
CAS 464174-87-6C18H18BF4N3O
(S)-5-Benzyl-2-meSityl-6,6-dimethyl-6,8-dihydro-5H-(1,2,4)triazolo(3,4-c)(1,4)oxazin-2-ium tetrafluoroborate chemical structure, C23H28BF4N3O, CAS 925706-40-7
(S)-5-Benzyl-2-meSityl-6,6-dimethyl-6,8-dihydro-5H-(1,2,4)triazolo(3,4-c)(1,4)oxazin-2-ium tetrafluoroborate
CAS 925706-40-7C23H28BF4N3O
(S)-5-Benzyl-2-mesityl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate chemical structure, C21H24BF4N3O, CAS 950842-73-6
(S)-5-Benzyl-2-mesityl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
CAS 950842-73-6C21H24BF4N3O
(S)-5-Benzyl-2-(perfluorophenyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate chemical structure, C18H13BF9N3O, CAS 1327274-33-8
(S)-5-Benzyl-2-(perfluorophenyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
CAS 1327274-33-8C18H13BF9N3O
(S)-5-Benzyl-2-(2,4,6-trichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium chemical structure, C18H15Cl3N3O+, CAS 1612251-12-3
(S)-5-Benzyl-2-(2,4,6-trichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium
CAS 1612251-12-3C18H15Cl3N3O+
(S)-5-Benzyl-2-(2,4,6-trichlorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate chemical structure, C18H15BCl3F4N3O, CAS 1612251-13-4
(S)-5-Benzyl-2-(2,4,6-trichlorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate
CAS 1612251-13-4C18H15BCl3F4N3O
(R)-5-Benzyl-2-mesityl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate chemical structure, C21H24BF4N3O, CAS 1975190-68-1
(R)-5-Benzyl-2-mesityl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
CAS 1975190-68-1C21H24BF4N3O
(R)-5-Benzyl-2-(perfluorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate chemical structure, C18H13BF9N3O, CAS 2758767-35-8
(R)-5-Benzyl-2-(perfluorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate
CAS 2758767-35-8C18H13BF9N3O
(S)-5-Benzyl-2-(2,4,6-triisopropylphenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium chloride chemical structure, C27H36ClN3O, CAS 2756027-33-3
(S)-5-Benzyl-2-(2,4,6-triisopropylphenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium chloride
CAS 2756027-33-3C27H36ClN3O
(R)-5-Benzyl-2-(4-(tert-butyl)phenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium chemical structure, C22H26N3O+, CAS 2648086-86-4
(R)-5-Benzyl-2-(4-(tert-butyl)phenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium
CAS 2648086-86-4C22H26N3O+
(S)-5-Benzyl-2-(4-(tert-butyl)phenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate chemical structure, C22H26BF4N3O, CAS 2650518-25-3
(S)-5-Benzyl-2-(4-(tert-butyl)phenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate
CAS 2650518-25-3C22H26BF4N3O
(R)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate chemical structure, C18H18BF4N3O, CAS 2828438-89-5
(R)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate
CAS 2828438-89-5C18H18BF4N3O
(5S)-5-Benzyl-2-(4-tert-butylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate chemical structure, C22H26BF4N3O
(5S)-5-Benzyl-2-(4-tert-butylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
C22H26BF4N3O
(R)-5-Benzyl-2-(2,4,6-trichlorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate chemical structure, C18H15BCl3F4N3O, CAS 2828438-91-9
(R)-5-Benzyl-2-(2,4,6-trichlorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate
CAS 2828438-91-9C18H15BCl3F4N3O