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Murcko scaffold

Ring system with 3 rings and 20 atoms

14 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 20
Chemicals: 14
With full pages: 7

Scaffold SMILES

O=C(NCc1nncn1-c1ccccc1)c1cccs1

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(NCc1nncn1-c1ccccc1)c1cccs1

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 14 of 14 chemicals

Methyl 2-((4-phenyl-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate chemical structure, C17H16N4O3S2, CAS 689748-71-8

Methyl 2-((4-phenyl-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate

CAS 689748-71-8C₁₇H₁₆N₄O₃S₂

Ethyl 2-[[4-(4-fluorophenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C18H17FN4O3S2, CAS 689749-13-1

Ethyl 2-[[4-(4-fluorophenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate

CAS 689749-13-1C₁₈H₁₇FN₄O₃S₂

Ethyl 2-((4-phenyl-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate chemical structure, C18H18N4O3S2, CAS 689748-76-3

Ethyl 2-((4-phenyl-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate

CAS 689748-76-3C₁₈H₁₈N₄O₃S₂

Methyl 2-[[4-(3-methylphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C18H18N4O3S2, CAS 689748-81-0

Methyl 2-[[4-(3-methylphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate

CAS 689748-81-0C₁₈H₁₈N₄O₃S₂

Ethyl 2-((5-((thiophene-2-carboxamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate chemical structure, C19H20N4O3S2, CAS 689748-86-5

Ethyl 2-((5-((thiophene-2-carboxamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate

CAS 689748-86-5C₁₉H₂₀N₄O₃S₂

Ethyl 2-((4-(2,5-dimethylphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate chemical structure, C20H22N4O3S2, CAS 689748-92-3

Ethyl 2-((4-(2,5-dimethylphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate

CAS 689748-92-3C₂₀H₂₂N₄O₃S₂

Ethyl 2-((4-(2-methoxyphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate chemical structure, C19H20N4O4S2, CAS 689748-97-8

Ethyl 2-((4-(2-methoxyphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate

CAS 689748-97-8C₁₉H₂₀N₄O₄S₂

Methyl 2-((4-(2,5-dimethoxyphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate chemical structure, C19H20N4O5S2, CAS 689749-02-8

Methyl 2-((4-(2,5-dimethoxyphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate

CAS 689749-02-8C₁₉H₂₀N₄O₅S₂

Ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C20H22N4O5S2, CAS 689749-08-4

Ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate

CAS 689749-08-4C₂₀H₂₂N₄O₅S₂

Methyl 2-[[5-[(thiophene-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C18H15F3N4O3S2, CAS 689749-18-6

Methyl 2-[[5-[(thiophene-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate

CAS 689749-18-6C₁₈H₁₅F₃N₄O₃S₂

Ethyl 2-[[5-[(thiophene-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C19H17F3N4O3S2, CAS 689749-23-3

Ethyl 2-[[5-[(thiophene-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate

CAS 689749-23-3C₁₉H₁₇F₃N₄O₃S₂

Ethyl 2-[[4-(4-nitrophenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C18H17N5O5S2, CAS 689749-28-8

Ethyl 2-[[4-(4-nitrophenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate

CAS 689749-28-8C₁₈H₁₇N₅O₅S₂

N-[[5-Butylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide chemical structure, C18H19N5O3S2, CAS 389072-13-3

N-[[5-Butylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

CAS 389072-13-3C₁₈H₁₉N₅O₃S₂

N-((5-((2-(Hydroxyamino)-2-oxoethyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide chemical structure, C17H17N5O3S2, CAS 878065-16-8

N-((5-((2-(Hydroxyamino)-2-oxoethyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide

CAS 878065-16-8C₁₇H₁₇N₅O₃S₂