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Murcko scaffold

Ring system with 5 rings and 30 atoms

11 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
11
With full pages
7
Scaffold SMILES

O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1ccon1

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)Nc1ccon1

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 11 of 11 chemicals

N-(5-Methyl-1,2-oxazol-3-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide chemical structure, C23H19N5O3S, CAS 536704-74-2
N-(5-Methyl-1,2-oxazol-3-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CAS 536704-74-2C23H19N5O3S
2-((3-(3,5-Dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C24H21N5O3S, CAS 536705-68-7
2-((3-(3,5-Dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 536705-68-7C24H21N5O3S
2-((3-(3-Methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C23H19N5O4S, CAS 536706-62-4
2-((3-(3-Methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 536706-62-4C23H19N5O4S
2-((3-(4-Methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C23H19N5O4S, CAS 536707-56-9
2-((3-(4-Methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 536707-56-9C23H19N5O4S
2-((3-(3-Chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C22H16ClN5O3S, CAS 536713-16-3
2-((3-(3-Chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 536713-16-3C22H16ClN5O3S
2-((3-(4-Chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C22H16ClN5O3S, CAS 536715-05-6
2-((3-(4-Chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 536715-05-6C22H16ClN5O3S
N-(5-Methylisoxazol-3-yl)-2-((4-oxo-3-(3-(trifluoromethyl)phenyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C23H16F3N5O3S, CAS 536716-06-0
N-(5-Methylisoxazol-3-yl)-2-((4-oxo-3-(3-(trifluoromethyl)phenyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 536716-06-0C23H16F3N5O3S
N-(5-Methyl-1,2-oxazol-3-yl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide chemical structure, C22H16N6O5S, CAS 536717-01-8
N-(5-Methyl-1,2-oxazol-3-yl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CAS 536717-01-8C22H16N6O5S
2-[[3-(2-Fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide chemical structure, C22H16FN5O3S, CAS 887215-09-0
2-[[3-(2-Fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CAS 887215-09-0C22H16FN5O3S
2-{[3-(2-Methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide chemical structure, C23H19N5O4S, CAS 888431-10-5
2-{[3-(2-Methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CAS 888431-10-5C23H19N5O4S
2-((3-(3,4-Dimethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C24H21N5O5S, CAS 888441-94-9
2-((3-(3,4-Dimethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 888441-94-9C24H21N5O5S