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Murcko scaffold

Ring system with 3 rings and 21 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
8
With full pages
1
Scaffold SMILES

O=C(Nc1ncc(SCc2ncco2)s1)C1CCNCC1

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(Nc1ncc(SCc2ncco2)s1)C1CCNCC1

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 8 of 8 chemicals

N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide chemical structure, C17H24N4O2S2, CAS 345627-80-7
N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide
CAS 345627-80-7C17H24N4O2S2
tert-Butyl 4-((5-((5-tert-butyloxazol-2-yl) methylthio)thiazol-2-yl)carbamoyl)piperidine-1-carboxylate chemical structure, C22H32N4O4S2, CAS 345629-23-4
tert-Butyl 4-((5-((5-tert-butyloxazol-2-yl) methylthio)thiazol-2-yl)carbamoyl)piperidine-1-carboxylate
CAS 345629-23-4C22H32N4O4S2
N-[5-[(5-tert-Butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide, (2R,3R)-2,3-dihydroxybutanedioic acid chemical structure, C38H54N8O10S4, CAS 345627-92-1
N-[5-[(5-tert-Butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide, (2R,3R)-2,3-dihydroxybutanedioic acid
CAS 345627-92-1C38H54N8O10S4
N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide hydrochloride chemical structure, C17H25ClN4O2S2, CAS 345627-90-9
N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide hydrochloride
CAS 345627-90-9C17H25ClN4O2S2
1-[2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide chemical structure, C25H42N4O3S2Si, CAS 345629-26-7
1-[2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide
CAS 345629-26-7C25H42N4O3S2Si
N-(5-{[(5-tert-Butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide, trifluoroacetic acid chemical structure, C19H25F3N4O4S2, CAS 960072-42-8
N-(5-{[(5-tert-Butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide, trifluoroacetic acid
CAS 960072-42-8C19H25F3N4O4S2
SNS-032 (Tartrate) chemical structure, C38H54N8O10S4
SNS-032 (Tartrate)
C38H54N8O10S4
4-Piperidinecarboxamide, N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-, sulfate (2:1) chemical structure, C34H50N8O8S5, CAS 345627-96-5
4-Piperidinecarboxamide, N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-, sulfate (2:1)
CAS 345627-96-5C34H50N8O8S5