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Murcko scaffold

Ring system with 3 rings and 21 atoms

18 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
18
With full pages
6
Scaffold SMILES

O=C(CSc1nnc(-c2cccnc2)[nH]1)c1ccccc1

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=C(CSc1nnc(-c2cccnc2)[nH]1)c1ccccc1

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 18 of 18 chemicals

2-[(4-Amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone chemical structure, C16H15N5OS, CAS 608490-68-2
2-[(4-Amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone
CAS 608490-68-2C16H15N5OS
2-[(4-Allyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethanone chemical structure, C18H16N4OS, CAS 433249-85-5
2-[(4-Allyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethanone
CAS 433249-85-5C18H16N4OS
1-(4-Chlorophenyl)-2-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C16H13ClN4OS, CAS 496777-03-8
1-(4-Chlorophenyl)-2-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 496777-03-8C16H13ClN4OS
2-(4-Methyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone chemical structure, C16H14N4OS, CAS 496777-05-0
2-(4-Methyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone
CAS 496777-05-0C16H14N4OS
1-(4-Fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]ethanone chemical structure, C16H13FN4OS, CAS 496777-02-7
1-(4-Fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]ethanone
CAS 496777-02-7C16H13FN4OS
2-[(4-Ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone chemical structure, C17H15FN4OS, CAS 637320-96-8
2-[(4-Ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone
CAS 637320-96-8C17H15FN4OS
1-(4-Chlorophenyl)-2-(4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-ylthio)ethanone chemical structure, C17H15ClN4OS, CAS 585553-49-7
1-(4-Chlorophenyl)-2-(4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-ylthio)ethanone
CAS 585553-49-7C17H15ClN4OS
1-(2,4-Dichlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone chemical structure, C16H12Cl2N4OS, CAS 496777-04-9
1-(2,4-Dichlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS 496777-04-9C16H12Cl2N4OS
1-(3-Nitrophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone chemical structure, C18H15N5O3S, CAS 433249-79-7
1-(3-Nitrophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS 433249-79-7C18H15N5O3S
1-(4-Fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C18H15FN4OS, CAS 433703-68-5
1-(4-Fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 433703-68-5C18H15FN4OS
1-(4-Chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C18H15ClN4OS, CAS 433328-54-2
1-(4-Chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 433328-54-2C18H15ClN4OS
1-(4-Bromophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C17H15BrN4OS, CAS 678167-33-4
1-(4-Bromophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 678167-33-4C17H15BrN4OS
1-(4-Bromophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C16H13BrN4OS, CAS 676590-94-6
1-(4-Bromophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 676590-94-6C16H13BrN4OS
2-[(4-Ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone chemical structure, C17H15N5O3S, CAS 620569-88-2
2-[(4-Ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
CAS 620569-88-2C17H15N5O3S
2-[(4-Ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethanone chemical structure, C17H16N4OS, CAS 333331-44-5
2-[(4-Ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethanone
CAS 333331-44-5C17H16N4OS
1-(2,5-Dimethoxyphenyl)-2-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}ethanone chemical structure, C18H18N4O3S, CAS 578745-67-2
1-(2,5-Dimethoxyphenyl)-2-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}ethanone
CAS 578745-67-2C18H18N4O3S
2-{[5-(6-Chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one chemical structure, C17H12ClF3N4OS, CAS 680217-47-4
2-{[5-(6-Chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one
CAS 680217-47-4C17H12ClF3N4OS
1-(3,4-Dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C18H18N4O3S, CAS 853337-79-8
1-(3,4-Dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 853337-79-8C18H18N4O3S