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Murcko scaffold

Ring system with 3 rings and 21 atoms

88 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
88
With full pages
10
Scaffold SMILES

O=C(CSc1nnc(-c2ccccc2)[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(-c2ccccc2)[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 48 of 88 chemicals

Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- chemical structure, C16H14N4OS, CAS 127399-28-4
Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
CAS 127399-28-4C16H14N4OS
2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone chemical structure, C16H13ClN4OS, CAS 127399-30-8
2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone
CAS 127399-30-8C16H13ClN4OS
1-(3,4-Dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone chemical structure, C20H19N3O4S, CAS 714936-79-5
1-(3,4-Dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
CAS 714936-79-5C20H19N3O4S
1-(4-Fluorophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]ethanone chemical structure, C17H14FN3OS, CAS 299922-25-1
1-(4-Fluorophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]ethanone
CAS 299922-25-1C17H14FN3OS
1-(3,4-Dihydroxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone chemical structure, C17H15N3O3S, CAS 346466-01-1
1-(3,4-Dihydroxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS 346466-01-1C17H15N3O3S
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone chemical structure, C17H15N3OS, CAS 482653-79-2
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CAS 482653-79-2C17H15N3OS
2-{[4-Methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone chemical structure, C18H17N3OS, CAS 483285-20-7
2-{[4-Methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
CAS 483285-20-7C18H17N3OS
1-(4-Fluorophenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C17H14FN3O2S, CAS 327093-34-5
1-(4-Fluorophenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 327093-34-5C17H14FN3O2S
1-(4-Chlorophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone chemical structure, C17H14ClN3OS, CAS 556803-28-2
1-(4-Chlorophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS 556803-28-2C17H14ClN3OS
1-Phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone chemical structure, C19H17N3OS, CAS 713492-50-3
1-Phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS 713492-50-3C19H17N3OS
1-(4-Chlorophenyl)-2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C17H14ClN3OS, CAS 87219-96-3
1-(4-Chlorophenyl)-2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 87219-96-3C17H14ClN3OS
2-[[5-(4-Bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone chemical structure, C21H20BrN3O2S, CAS 305337-52-4
2-[[5-(4-Bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CAS 305337-52-4C21H20BrN3O2S
N-[3-(4-Methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide chemical structure, C20H20N4O2S, CAS 425685-20-7
N-[3-(4-Methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide
CAS 425685-20-7C20H20N4O2S
2-[[5-(3-Aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone chemical structure, C17H15ClN4OS, CAS 425683-12-1
2-[[5-(3-Aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
CAS 425683-12-1C17H15ClN4OS
1-(4-Bromophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone chemical structure, C18H16BrN3OS, CAS 665018-59-7
1-(4-Bromophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CAS 665018-59-7C18H16BrN3OS
1-(4-Bromophenyl)-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C18H16BrN3O2S, CAS 665018-61-1
1-(4-Bromophenyl)-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 665018-61-1C18H16BrN3O2S
2-[[5-(3-Aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone chemical structure, C17H15BrN4OS, CAS 421570-28-7
2-[[5-(3-Aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
CAS 421570-28-7C17H15BrN4OS
N-[3-[5-[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide chemical structure, C20H19BrN4O2S, CAS 430444-07-8
N-[3-[5-[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
CAS 430444-07-8C20H19BrN4O2S
2-[[5-(4-Aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone chemical structure, C17H15N5O3S, CAS 354125-75-0
2-[[5-(4-Aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
CAS 354125-75-0C17H15N5O3S
1-(2,4-Dimethylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone chemical structure, C22H23N3O2S, CAS 312290-66-7
1-(2,4-Dimethylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CAS 312290-66-7C22H23N3O2S
1-(4-Ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone chemical structure, C22H23N3O2S, CAS 312280-26-5
1-(4-Ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CAS 312280-26-5C22H23N3O2S
2-[[5-(4-tert-Butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone chemical structure, C24H27N3O2S, CAS 305336-70-3
2-[[5-(4-tert-Butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CAS 305336-70-3C24H27N3O2S
2-[[4-Methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone chemical structure, C17H14N4O3S, CAS 493027-70-6
2-[[4-Methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
CAS 493027-70-6C17H14N4O3S
1-(4-Methoxyphenyl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone chemical structure, C19H19N3O2S, CAS 483285-38-7
1-(4-Methoxyphenyl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CAS 483285-38-7C19H19N3O2S