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Murcko scaffold

Ring system with 5 rings and 31 atoms

14 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 31
Chemicals: 14
With full pages: 10

Scaffold SMILES

O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)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(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)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 14 of 14 chemicals

2-{[3-(4-Chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide chemical structure, C23H21ClN4O3S, CAS 536714-97-3

2-{[3-(4-Chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

CAS 536714-97-3C₂₃H₂₁ClN₄O₃S

2-((3-(4-Ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C25H26N4O4S, CAS 536708-46-0

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

CAS 536708-46-0C₂₅H₂₆N₄O₄S

2-[[3-(4-Fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide chemical structure, C23H21FN4O3S, CAS 536711-14-5

2-[[3-(4-Fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

CAS 536711-14-5C₂₃H₂₁FN₄O₃S

N-(Oxolan-2-ylmethyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide chemical structure, C24H21F3N4O3S, CAS 536716-02-6

N-(Oxolan-2-ylmethyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

CAS 536716-02-6C₂₄H₂₁F₃N₄O₃S

2-[[3-(4-Nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide chemical structure, C23H21N5O5S, CAS 536716-96-8

2-[[3-(4-Nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

CAS 536716-96-8C₂₃H₂₁N₅O₅S

2-((3-(3,5-Dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C25H26N4O3S, CAS 536705-64-3

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

CAS 536705-64-3C₂₅H₂₆N₄O₃S

2-{[3-(3-Chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide chemical structure, C23H21ClN4O3S, CAS 536713-08-3

2-{[3-(3-Chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

CAS 536713-08-3C₂₃H₂₁ClN₄O₃S

2-((4-Oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C24H24N4O3S, CAS 536704-70-8

2-((4-Oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide

CAS 536704-70-8C₂₄H₂₄N₄O₃S

2-[[3-(3-Methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide chemical structure, C24H24N4O4S, CAS 536706-58-8

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

CAS 536706-58-8C₂₄H₂₄N₄O₄S

2-[[3-(2-Methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide chemical structure, C24H24N4O3S, CAS 887214-78-0

2-[[3-(2-Methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

CAS 887214-78-0C₂₄H₂₄N₄O₃S

2-((3-(2-Methoxy-5-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C25H26N4O4S, CAS 888452-36-6

2-((3-(2-Methoxy-5-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide

CAS 888452-36-6C₂₅H₂₆N₄O₄S

2-((3-(2-Fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C23H21FN4O3S, CAS 888452-07-1

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

CAS 888452-07-1C₂₃H₂₁FN₄O₃S

2-((3-(2-Methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C24H24N4O4S, CAS 888430-40-8

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

CAS 888430-40-8C₂₄H₂₄N₄O₄S

2-((3-(3,4-Dimethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C25H26N4O5S, CAS 888441-16-5

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

CAS 888441-16-5C₂₅H₂₆N₄O₅S