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Murcko scaffold

Ring system with 3 rings and 25 atoms

20 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 25
Chemicals: 20
With full pages: 8

Scaffold SMILES

O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCC1CCCO1

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(NC(=O)c2ccccc2)s1)NCC1CCCO1

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

3-Methyl-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide chemical structure, C17H20N4O3S2, CAS 868973-09-5

3-Methyl-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide

CAS 868973-09-5C₁₇H₂₀N₄O₃S₂

2,4-Dichloro-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide chemical structure, C16H16Cl2N4O3S2, CAS 532431-50-8

2,4-Dichloro-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide

CAS 532431-50-8C₁₆H₁₆Cl₂N₄O₃S₂

4-Butoxy-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide chemical structure, C20H26N4O4S2, CAS 896026-80-5

4-Butoxy-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide

CAS 896026-80-5C₂₀H₂₆N₄O₄S₂

4-Methyl-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide chemical structure, C17H20N4O3S2, CAS 868976-29-8

4-Methyl-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide

CAS 868976-29-8C₁₇H₂₀N₄O₃S₂

4-(Dimethylsulfamoyl)-N-[5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide chemical structure, C18H23N5O5S3, CAS 868976-96-9

4-(Dimethylsulfamoyl)-N-[5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

CAS 868976-96-9C₁₈H₂₃N₅O₅S₃

3-Bromo-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C16H17BrN4O3S2, CAS 893159-96-1

3-Bromo-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893159-96-1C₁₆H₁₇BrN₄O₃S₂

3,4-Diethoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C20H26N4O5S2, CAS 893358-17-3

3,4-Diethoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893358-17-3C₂₀H₂₆N₄O₅S₂

3,4,5-Trimethoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C19H24N4O6S2, CAS 893150-33-9

3,4,5-Trimethoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893150-33-9C₁₉H₂₄N₄O₆S₂

3,4-Dimethoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C18H22N4O5S2, CAS 893153-29-2

3,4-Dimethoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893153-29-2C₁₈H₂₂N₄O₅S₂

3,5-Dimethyl-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C18H22N4O3S2, CAS 893153-92-9

3,5-Dimethyl-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893153-92-9C₁₈H₂₂N₄O₃S₂

4-tert-Butyl-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide chemical structure, C20H26N4O3S2, CAS 920469-98-3

4-tert-Butyl-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide

CAS 920469-98-3C₂₀H₂₆N₄O₃S₂

2-Nitro-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C16H17N5O5S2, CAS 893135-89-2

2-Nitro-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893135-89-2C₁₆H₁₇N₅O₅S₂

3-Chloro-N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide chemical structure, C16H17ClN4O3S2, CAS 893142-48-8

3-Chloro-N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

CAS 893142-48-8C₁₆H₁₇ClN₄O₃S₂

2-Fluoro-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C16H17FN4O3S2, CAS 893134-10-6

2-Fluoro-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893134-10-6C₁₆H₁₇FN₄O₃S₂

3-Fluoro-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C16H17FN4O3S2, CAS 893141-90-7

3-Fluoro-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893141-90-7C₁₆H₁₇FN₄O₃S₂

5-Bromo-2-chloro-N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide chemical structure, C16H16BrClN4O3S2, CAS 920455-81-8

5-Bromo-2-chloro-N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

CAS 920455-81-8C₁₆H₁₆BrClN₄O₃S₂

4-Ethoxy-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide chemical structure, C18H22N4O4S2, CAS 893151-72-9

4-Ethoxy-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide

CAS 893151-72-9C₁₈H₂₂N₄O₄S₂

2,6-Difluoro-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C16H16F2N4O3S2, CAS 893161-72-3

2,6-Difluoro-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893161-72-3C₁₆H₁₆F₂N₄O₃S₂

2-Methoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide chemical structure, C17H20N4O4S2, CAS 893128-82-0

2-Methoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

CAS 893128-82-0C₁₇H₂₀N₄O₄S₂

N-(5-((2-Oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide chemical structure, C17H17F3N4O3S2, CAS 893333-21-6

N-(5-((2-Oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide

CAS 893333-21-6C₁₇H₁₇F₃N₄O₃S₂