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Murcko scaffold

Ring system with 3 rings and 20 atoms

33 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
33
With full pages
9
Scaffold SMILES

c1ccc(C(Cc2ccncn2)Cn2cncn2)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(C(Cc2ccncn2)Cn2cncn2)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 33 of 33 chemicals

Voriconazole chemical structure, C16H14F3N5O, CAS 137234-62-9
Voriconazole
CAS 137234-62-9C16H14F3N5O
alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol chemical structure, C16H14F3N5O, CAS 182230-43-9
alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
CAS 182230-43-9C16H14F3N5O
Voriconazole N-oxide chemical structure, C16H14F3N5O2, CAS 618109-05-0
Voriconazole N-oxide
CAS 618109-05-0C16H14F3N5O2
6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol chemical structure, C16H13ClF3N5O, CAS 188416-35-5
6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
CAS 188416-35-5C16H13ClF3N5O
(AlphaS,betaR)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol chemical structure, C16H14F3N5O, CAS 137234-63-0
(AlphaS,betaR)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
CAS 137234-63-0C16H14F3N5O
(2R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol chemical structure, C16H14F3N5O, CAS 137330-52-0
(2R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS 137330-52-0C16H14F3N5O
Voriconazole impurity 132 chemical structure, C26H30F3N5O5S
Voriconazole impurity 132
C26H30F3N5O5S
(±)-5-Desfluoro voriconazole chemical structure, C16H15F2N5O, CAS 182369-73-9
(±)-5-Desfluoro voriconazole
CAS 182369-73-9C16H15F2N5O
(2r,3s)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butyl dihydrogen phosphate chemical structure, C16H15F3N5O4P, CAS 194798-86-2
(2r,3s)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butyl dihydrogen phosphate
CAS 194798-86-2C16H15F3N5O4P
Voriconazole camphor sulfonate chemical structure, C26H30F3N5O5S, CAS 137234-71-0
Voriconazole camphor sulfonate
CAS 137234-71-0C26H30F3N5O5S
(±)-Voriconazole-d3 chemical structure, C16H14F3N5O, CAS 1126743-89-2
(±)-Voriconazole-d3
CAS 1126743-89-2C16H14F3N5O
(2R,3S)-rel-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol chemical structure, C16H13ClF3N5O, CAS 137234-75-4
(2R,3S)-rel-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CAS 137234-75-4C16H13ClF3N5O
(aR,bR)-rel-6-Chloro-a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol chemical structure, C16H13ClF3N5O, CAS 137234-76-5
(aR,bR)-rel-6-Chloro-a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
CAS 137234-76-5C16H13ClF3N5O
Voriconazole impurity R chemical structure, C16H14F3N5O, CAS 239807-04-6
Voriconazole impurity R
CAS 239807-04-6C16H14F3N5O
Voriconazole, (R,R)- chemical structure, C16H14F3N5O, CAS 239807-03-5
Voriconazole, (R,R)-
CAS 239807-03-5C16H14F3N5O
Voriconazole-d3 N-oxide chemical structure, C16H14F3N5O2, CAS 1217851-84-7
Voriconazole-d3 N-oxide
CAS 1217851-84-7C16H14F3N5O2
(2R,3S)-3-(6-Chloro-5-fluoropyrimidin-4-yl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)butan-2-ol, hydrochloride chemical structure, C16H13Cl3F3N5O, CAS 848469-29-4
(2R,3S)-3-(6-Chloro-5-fluoropyrimidin-4-yl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)butan-2-ol, hydrochloride
CAS 848469-29-4C16H13Cl3F3N5O
Voriconazole-d3 chemical structure, C16H14F3N5O, CAS 1217661-14-7
Voriconazole-d3
CAS 1217661-14-7C16H14F3N5O
3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) chemical structure, C16H14Cl2F3N5O, CAS 188416-20-8
3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1)
CAS 188416-20-8C16H14Cl2F3N5O
Voriconazole-13C3,d3 chemical structure, C16H14F3N5O, CAS 1261395-15-6
Voriconazole-13C3,d3
CAS 1261395-15-6C16H14F3N5O
3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(3-chloro-1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride chemical structure, C16H13Cl3F3N5O
3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(3-chloro-1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride
C16H13Cl3F3N5O
(Racemic voriconazole) chemical structure, C16H14F3N5O, CAS 188416-29-7
(Racemic voriconazole)
CAS 188416-29-7C16H14F3N5O
(3S)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol chemical structure, C16H14F3N5O, CAS 1957130-54-9
(3S)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CAS 1957130-54-9C16H14F3N5O
(2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol, [(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid chemical structure, C26H30F3N5O5S
(2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol, [(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
C26H30F3N5O5S