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Murcko scaffold

Ring system with 5 rings and 30 atoms

15 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 30
Chemicals: 15
With full pages: 1

Scaffold SMILES

O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1nncs1

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(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1nncs1

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 15 of 15 chemicals

N-(5-Methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C21H16N6O2S2, CAS 537668-71-6

N-(5-Methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide

CAS 537668-71-6C₂₁H₁₆N₆O₂S₂

2-[[3-(3,5-Dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide chemical structure, C23H20N6O2S2, CAS 536705-41-6

2-[[3-(3,5-Dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

CAS 536705-41-6C₂₃H₂₀N₆O₂S₂

2-[[3-(3-Methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide chemical structure, C22H18N6O3S2, CAS 536706-35-1

2-[[3-(3-Methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

CAS 536706-35-1C₂₂H₁₈N₆O₃S₂

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C23H20N6O3S2, CAS 536706-36-2

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide

CAS 536706-36-2C₂₃H₂₀N₆O₃S₂

2-((3-(4-Methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide chemical structure, C22H18N6O3S2, CAS 536707-29-6

2-((3-(4-Methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

CAS 536707-29-6C₂₂H₁₈N₆O₃S₂

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide chemical structure, C23H20N6O3S2, CAS 536707-30-9

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

CAS 536707-30-9C₂₃H₂₀N₆O₃S₂

2-((3-(4-Fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide chemical structure, C21H15FN6O2S2, CAS 536710-81-3

2-((3-(4-Fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

CAS 536710-81-3C₂₁H₁₅FN₆O₂S₂

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C22H17FN6O2S2, CAS 536710-82-4

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide

CAS 536710-82-4C₂₂H₁₇FN₆O₂S₂

2-((3-(3-Chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide chemical structure, C21H15ClN6O2S2, CAS 536712-62-6

2-((3-(3-Chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

CAS 536712-62-6C₂₁H₁₅ClN₆O₂S₂

2-((3-(4-Chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide chemical structure, C21H15ClN6O2S2, CAS 536714-50-8

2-((3-(4-Chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

CAS 536714-50-8C₂₁H₁₅ClN₆O₂S₂

2-[[3-(3,5-Dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide chemical structure, C24H22N6O2S2, CAS 536705-42-7

2-[[3-(3,5-Dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

CAS 536705-42-7C₂₄H₂₂N₆O₂S₂

N-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C23H20N6O3S3, CAS 536706-37-3

N-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide

CAS 536706-37-3C₂₃H₂₀N₆O₃S₃

N-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C22H18N6O2S3, CAS 537668-75-0

N-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide

CAS 537668-75-0C₂₂H₁₈N₆O₂S₃

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C22H18N6O2S2, CAS 537668-73-8

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide

CAS 537668-73-8C₂₂H₁₈N₆O₂S₂

2-{[3-(4-Chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-B]indol-2-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide chemical structure, C22H17ClN6O2S2, CAS 536714-52-0

2-{[3-(4-Chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-B]indol-2-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

CAS 536714-52-0C₂₂H₁₇ClN₆O₂S₂