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Murcko scaffold

Ring system with 4 rings and 31 atoms

13 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
31
Chemicals
13
With full pages
3
Scaffold SMILES

O=C(NCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1)c1ccccc1

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(NCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1)c1ccccc1

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 13 of 13 chemicals

N-[[4-Ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide chemical structure, C25H30N6O2S, CAS 693266-83-0
N-[[4-Ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide
CAS 693266-83-0C25H30N6O2S
2-Methyl-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C24H28N6O2S, CAS 693805-38-8
2-Methyl-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CAS 693805-38-8C24H28N6O2S
N-[1-[4-Ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide chemical structure, C28H36N6O2S, CAS 693813-73-9
N-[1-[4-Ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide
CAS 693813-73-9C28H36N6O2S
3-Methyl-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C24H28N6O2S, CAS 662155-75-1
3-Methyl-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CAS 662155-75-1C24H28N6O2S
N-[[4-Ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide chemical structure, C25H30N6O2S, CAS 694468-50-3
N-[[4-Ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
CAS 694468-50-3C25H30N6O2S
2-Bromo-N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide chemical structure, C25H29BrN6O2S, CAS 701282-99-7
2-Bromo-N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CAS 701282-99-7C25H29BrN6O2S
2-Fluoro-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C23H25FN6O2S, CAS 701288-72-4
2-Fluoro-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CAS 701288-72-4C23H25FN6O2S
3-Methyl-N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C26H30N6O2S, CAS 701948-22-3
3-Methyl-N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
CAS 701948-22-3C26H30N6O2S
3,4-Dimethoxy-N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C27H32N6O4S, CAS 709005-07-2
3,4-Dimethoxy-N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
CAS 709005-07-2C27H32N6O4S
2-Fluoro-N-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide chemical structure, C24H27FN6O2S, CAS 832095-21-3
2-Fluoro-N-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CAS 832095-21-3C24H27FN6O2S
4-Methoxy-N-[1-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C25H30N6O3S, CAS 832104-89-9
4-Methoxy-N-[1-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 832104-89-9C25H30N6O3S
N-[1-(4-Ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide chemical structure, C25H29FN6O2S, CAS 792944-07-1
N-[1-(4-Ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
CAS 792944-07-1C25H29FN6O2S
N-((4-Butyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide chemical structure, C27H34N6O3S, CAS 476449-29-3
N-((4-Butyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
CAS 476449-29-3C27H34N6O3S