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Murcko scaffold

Ring system with 4 rings and 25 atoms

28 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
28
With full pages
2
Scaffold SMILES

O=C(CSc1nnc(-c2ccccc2)[nH]1)Nc1ccc2c(c1)OCO2

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)Nc1ccc2c(c1)OCO2

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 28 of 28 chemicals

N-(1,3-Benzodioxol-5-yl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C19H18N4O3S, CAS 484680-22-0
N-(1,3-Benzodioxol-5-yl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 484680-22-0C19H18N4O3S
N-(1,3-Benzodioxol-5-yl)-2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide chemical structure, C20H17ClN4O3S, CAS 710982-21-1
N-(1,3-Benzodioxol-5-yl)-2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS 710982-21-1C20H17ClN4O3S
2-[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide chemical structure, C17H15N5O3S, CAS 573937-91-4
2-[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide
CAS 573937-91-4C17H15N5O3S
2-{[4-Amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C18H17N5O4S, CAS 577984-31-7
2-{[4-Amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
CAS 577984-31-7C18H17N5O4S
2-{[4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C18H17N5O4S, CAS 577696-05-0
2-{[4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
CAS 577696-05-0C18H17N5O4S
2-({4-Amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C20H21N5O4S, CAS 585556-15-6
2-({4-Amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-benzodioxol-5-yl)acetamide
CAS 585556-15-6C20H21N5O4S
2-{[4-Amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C19H19N5O5S, CAS 730967-54-1
2-{[4-Amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
CAS 730967-54-1C19H19N5O5S
2-{[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C17H14FN5O3S, CAS 740858-79-1
2-{[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
CAS 740858-79-1C17H14FN5O3S
2-{[4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C20H21N5O6S, CAS 740837-75-6
2-{[4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
CAS 740837-75-6C20H21N5O6S
N-(1,3-Benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C20H17FN4O3S, CAS 896855-08-6
N-(1,3-Benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 896855-08-6C20H17FN4O3S
N-(1,3-Benzodioxol-5-yl)-2-{[4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C19H17FN4O3S, CAS 878425-78-6
N-(1,3-Benzodioxol-5-yl)-2-{[4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 878425-78-6C19H17FN4O3S
2-{[4-Amino-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C18H17N5O3S, CAS 760196-37-0
2-{[4-Amino-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
CAS 760196-37-0C18H17N5O3S
2-((4-Amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide chemical structure, C17H14ClN5O3S, CAS 741272-52-6
2-((4-Amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide
CAS 741272-52-6C17H14ClN5O3S
N-(1,3-Benzodioxol-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide chemical structure, C19H18N4O3S, CAS 558449-59-5
N-(1,3-Benzodioxol-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS 558449-59-5C19H18N4O3S
2-{[4-Allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-benzodioxol-5-ylacetamide chemical structure, C20H17BrN4O4S, CAS 701971-40-6
2-{[4-Allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-benzodioxol-5-ylacetamide
CAS 701971-40-6C20H17BrN4O4S
2-{[4-Allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-benzodioxol-5-ylacetamide chemical structure, C20H18N4O4S, CAS 708241-52-5
2-{[4-Allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-benzodioxol-5-ylacetamide
CAS 708241-52-5C20H18N4O4S
N-(1,3-Benzodioxol-5-yl)-2-{[5-(5-bromo-2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C18H15BrN4O4S, CAS 835895-39-1
N-(1,3-Benzodioxol-5-yl)-2-{[5-(5-bromo-2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 835895-39-1C18H15BrN4O4S
2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide chemical structure, C17H12F3N5O3S, CAS 852034-02-7
2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CAS 852034-02-7C17H12F3N5O3S
2-{[4-Amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide chemical structure, C18H17N5O3S, CAS 578732-93-1
2-{[4-Amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
CAS 578732-93-1C18H17N5O3S
2-{[4-Amino-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C21H23N5O3S, CAS 573709-53-2
2-{[4-Amino-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
CAS 573709-53-2C21H23N5O3S
N-(1,3-Benzodioxol-5-yl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide chemical structure, C19H18N4O3S, CAS 792944-85-5
N-(1,3-Benzodioxol-5-yl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS 792944-85-5C19H18N4O3S
N-(1,3-Benzodioxol-5-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide chemical structure, C20H20N4O3S, CAS 3869-01-0
N-(1,3-Benzodioxol-5-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS 3869-01-0C20H20N4O3S
N-(1,3-Benzodioxol-5-yl)-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C20H20N4O4S, CAS 849824-98-2
N-(1,3-Benzodioxol-5-yl)-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 849824-98-2C20H20N4O4S
2-{[4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide chemical structure, C17H13Cl2N5O3S, CAS 680201-44-9
2-{[4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
CAS 680201-44-9C17H13Cl2N5O3S