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Murcko scaffold

Ring system with 4 rings and 20 atoms

90 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
90
With full pages
27
Scaffold SMILES

c1ccc(C2=NCc3nncn3-c3ccccc32)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(C2=NCc3nncn3-c3ccccc32)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 48 of 90 chemicals

alpha-Hydroxytriazolam chemical structure, C17H12Cl2N4O, CAS 37115-45-0
alpha-Hydroxytriazolam
CAS 37115-45-0C17H12Cl2N4O
Alprazolam chemical structure, C17H13ClN4, CAS 28981-97-7
Alprazolam
CAS 28981-97-7C17H13ClN4
Estazolam chemical structure, C16H11ClN4, CAS 29975-16-4
Estazolam
CAS 29975-16-4C16H11ClN4
Triazolam chemical structure, C17H12Cl2N4, CAS 28911-01-5
Triazolam
CAS 28911-01-5C17H12Cl2N4
Adinazolam chemical structure, C19H18ClN5, CAS 37115-32-5
Adinazolam
CAS 37115-32-5C19H18ClN5
Adinazolam mesylate chemical structure, C20H22ClN5O3S, CAS 57938-82-6
Adinazolam mesylate
CAS 57938-82-6C20H22ClN5O3S
8-Chloro-N-methyl-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine chemical structure, C18H16ClN5, CAS 37115-33-6
8-Chloro-N-methyl-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine
CAS 37115-33-6C18H16ClN5
RefChem:192850 chemical structure, C17H13ClN4O, CAS 141490-47-3
RefChem:192850
CAS 141490-47-3C17H13ClN4O
4-Hydroxytriazolam chemical structure, C17H12Cl2N4O, CAS 65686-11-5
4-Hydroxytriazolam
CAS 65686-11-5C17H12Cl2N4O
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-ethanamine, 8-chloro-N,N-dimethyl-6-phenyl-, 4-methylbenzenesulfonate chemical structure, C27H28ClN5O3S, CAS 83983-74-8
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-ethanamine, 8-chloro-N,N-dimethyl-6-phenyl-, 4-methylbenzenesulfonate
CAS 83983-74-8C27H28ClN5O3S
alpha-Hydroxyalprazolam chemical structure, C17H13ClN4O, CAS 37115-43-8
alpha-Hydroxyalprazolam
CAS 37115-43-8C17H13ClN4O
Alprazolam dihydrate chemical structure, C17H17ClN4O2, CAS 135748-32-2
Alprazolam dihydrate
CAS 135748-32-2C17H17ClN4O2
4-Hydroxyalprazolam chemical structure, C17H13ClN4O, CAS 30896-57-2
4-Hydroxyalprazolam
CAS 30896-57-2C17H13ClN4O
N-Desmethyladinazolam mesylate chemical structure, C19H20ClN5O3S, CAS 111317-35-2
N-Desmethyladinazolam mesylate
CAS 111317-35-2C19H20ClN5O3S
4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- chemical structure, C17H13ClN4, CAS 111596-99-7
4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-
CAS 111596-99-7C17H13ClN4
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide chemical structure, C17H13ClN4O, CAS 30896-65-2
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide
CAS 30896-65-2C17H13ClN4O
Methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate chemical structure, C18H13ClN4O3, CAS 64444-92-4
Methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate
CAS 64444-92-4C18H13ClN4O3
8-Chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine chemical structure, C16H10Cl2N4, CAS 42292-42-2
8-Chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CAS 42292-42-2C16H10Cl2N4
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-((methylthio)methyl)-6-phenyl- chemical structure, C18H15ClN4S, CAS 85677-78-7
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-((methylthio)methyl)-6-phenyl-
CAS 85677-78-7C18H15ClN4S
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((methylthio)methyl)- chemical structure, C18H14Cl2N4S, CAS 85677-79-8
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((methylthio)methyl)-
CAS 85677-79-8C18H14Cl2N4S
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 1-bromo-8-chloro-6-(2-chlorophenyl)- chemical structure, C16H9BrCl2N4, CAS 71368-68-8
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 1-bromo-8-chloro-6-(2-chlorophenyl)-
CAS 71368-68-8C16H9BrCl2N4
Phenazolam chemical structure, C17H12BrClN4, CAS 87213-50-1
Phenazolam
CAS 87213-50-1C17H12BrClN4
Methanesulfonamide, N-((8-chloro-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)- chemical structure, C18H16ClN5O2S, CAS 117267-39-7
Methanesulfonamide, N-((8-chloro-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)-
CAS 117267-39-7C18H16ClN5O2S
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3-chloro-4-methoxyphenyl)-1-methyl- chemical structure, C18H14Cl2N4O, CAS 115764-97-1
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3-chloro-4-methoxyphenyl)-1-methyl-
CAS 115764-97-1C18H14Cl2N4O