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Murcko scaffold

Ring system with 3 rings and 21 atoms

13 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
13
With full pages
3
Scaffold SMILES

O=C(CSc1nnc(-c2ccccc2)[nH]1)N1CCCCC1

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(CSc1nnc(-c2ccccc2)[nH]1)N1CCCCC1

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

2-[[4-Ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone chemical structure, C18H24N4O2S, CAS 333411-83-9
2-[[4-Ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CAS 333411-83-9C18H24N4O2S
N-[4-[4-Methyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide chemical structure, C19H25N5O2S, CAS 500266-33-1
N-[4-[4-Methyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
CAS 500266-33-1C19H25N5O2S
2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone chemical structure, C17H23N5OS, CAS 663213-51-2
2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CAS 663213-51-2C17H23N5OS
2-((4-Allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone chemical structure, C19H23BrN4O2S, CAS 892201-57-9
2-((4-Allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone
CAS 892201-57-9C19H23BrN4O2S
2-{[4-Ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethanone chemical structure, C18H24N4O2S, CAS 838881-92-8
2-{[4-Ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethanone
CAS 838881-92-8C18H24N4O2S
2-((4-Ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(piperidin-1-yl)ethanone chemical structure, C17H22N4O2S, CAS 881227-05-0
2-((4-Ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(piperidin-1-yl)ethanone
CAS 881227-05-0C17H22N4O2S
2-[[4-(2-Methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone chemical structure, C18H24N4O2S, CAS 626204-00-0
2-[[4-(2-Methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CAS 626204-00-0C18H24N4O2S
1-({[5-Phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide chemical structure, C19H23N5O2S, CAS 879618-60-7
1-({[5-Phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide
CAS 879618-60-7C19H23N5O2S
1-(((5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetyl)-4-piperidinecarboxamide chemical structure, C18H22ClN5O2S, CAS 878440-46-1
1-(((5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetyl)-4-piperidinecarboxamide
CAS 878440-46-1C18H22ClN5O2S
1-({[5-(2-Methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide chemical structure, C17H21N5O3S, CAS 879577-74-9
1-({[5-(2-Methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide
CAS 879577-74-9C17H21N5O3S
2-[[5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone chemical structure, C16H19ClN4OS, CAS 1208400-79-6
2-[[5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone
CAS 1208400-79-6C16H19ClN4OS
2-[[5-(2,4-Dichlorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperidinyl)ethanone chemical structure, C20H26Cl2N4OS, CAS 1096770-94-3
2-[[5-(2,4-Dichlorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperidinyl)ethanone
CAS 1096770-94-3C20H26Cl2N4OS
1-(4-Methyl-1-piperidinyl)-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]-1-propanone chemical structure, C17H22N4OS, CAS 1009544-13-1
1-(4-Methyl-1-piperidinyl)-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]-1-propanone
CAS 1009544-13-1C17H22N4OS