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Murcko scaffold

Ring system with 3 rings and 21 atoms

20 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
20
With full pages
7
Scaffold SMILES

O=C(CSc1nnc(-c2ccncc2)[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(-c2ccncc2)[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 20 of 20 chemicals

1-(4-Chlorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one chemical structure, C16H13ClN4OS, CAS 501113-03-7
1-(4-Chlorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
CAS 501113-03-7C16H13ClN4OS
alpha-[[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-yl]thio]acetophenone chemical structure, C18H16N4OS, CAS 385786-27-6
alpha-[[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-yl]thio]acetophenone
CAS 385786-27-6C18H16N4OS
1-(4-Methoxyphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C17H16N4O2S, CAS 338425-67-5
1-(4-Methoxyphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 338425-67-5C17H16N4O2S
4-Ethyl-5-(4-pyridinyl)-3-(benzoylmethylthio)-4H-1,2,4-triazol chemical structure, C17H16N4OS, CAS 431990-80-6
4-Ethyl-5-(4-pyridinyl)-3-(benzoylmethylthio)-4H-1,2,4-triazol
CAS 431990-80-6C17H16N4OS
1-(4-Fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone chemical structure, C16H13FN4OS, CAS 496775-87-2
1-(4-Fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
CAS 496775-87-2C16H13FN4OS
1-(4-Chlorophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone chemical structure, C18H17ClN4OS, CAS 663213-16-9
1-(4-Chlorophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS 663213-16-9C18H17ClN4OS
2-{[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone chemical structure, C18H15FN4OS, CAS 385786-28-7
2-{[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
CAS 385786-28-7C18H15FN4OS
2-{[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone chemical structure, C18H15ClN4OS, CAS 385786-29-8
2-{[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
CAS 385786-29-8C18H15ClN4OS
1-(4-Methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C19H18N4O2S, CAS 433699-95-7
1-(4-Methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 433699-95-7C19H18N4O2S
1-(4-Bromophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C17H15BrN4OS, CAS 678548-00-0
1-(4-Bromophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 678548-00-0C17H15BrN4OS
1-(2,5-Dimethoxyphenyl)-2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}ethanone chemical structure, C19H20N4O3S, CAS 678984-87-7
1-(2,5-Dimethoxyphenyl)-2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}ethanone
CAS 678984-87-7C19H20N4O3S
1-(4-Chlorophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C17H15ClN4OS, CAS 496777-35-6
1-(4-Chlorophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 496777-35-6C17H15ClN4OS
2-{[4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone chemical structure, C17H15FN4OS, CAS 500267-34-5
2-{[4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
CAS 500267-34-5C17H15FN4OS
2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone chemical structure, C17H15N5O3S, CAS 496777-36-7
2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
CAS 496777-36-7C17H15N5O3S
2-((4-Allyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3-nitrophenyl)ethanone chemical structure, C18H15N5O3S, CAS 433703-24-3
2-((4-Allyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3-nitrophenyl)ethanone
CAS 433703-24-3C18H15N5O3S
1-(4-Bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C18H15BrN4OS, CAS 676645-29-7
1-(4-Bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 676645-29-7C18H15BrN4OS
2-{[5-(2,6-Dichloro-4-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-(3-fluorophenyl)ethan-1-one chemical structure, C16H11Cl2FN4OS, CAS 680216-61-9
2-{[5-(2,6-Dichloro-4-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-(3-fluorophenyl)ethan-1-one
CAS 680216-61-9C16H11Cl2FN4OS
1-(4-Chlorophenyl)-2-([5-(2,6-dichloro-4-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio)ethan-1-one chemical structure, C16H11Cl3N4OS, CAS 680216-59-5
1-(4-Chlorophenyl)-2-([5-(2,6-dichloro-4-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio)ethan-1-one
CAS 680216-59-5C16H11Cl3N4OS
2-((4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-DI-HO-PH)ethanone chemical structure, C18H16N4O3S, CAS 573707-38-7
2-((4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-DI-HO-PH)ethanone
CAS 573707-38-7C18H16N4O3S
1-(3,4-Difluorophenyl)-2-((4-propyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethan-1-one chemical structure, C18H16F2N4OS, CAS 848340-38-5
1-(3,4-Difluorophenyl)-2-((4-propyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethan-1-one
CAS 848340-38-5C18H16F2N4OS