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Murcko scaffold

Ring system with 4 rings and 23 atoms

22 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
22
With full pages
2
Scaffold SMILES

O=C(CSc1nnc2c(n1)[nH]c1ccccc12)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(CSc1nnc2c(n1)[nH]c1ccccc12)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 22 of 22 chemicals

2-(8-Ethoxy-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-1-(2-methyl-piperidin-1-yl)-ethanone chemical structure, C20H25N5O2S, CAS 603947-81-5
2-(8-Ethoxy-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-1-(2-methyl-piperidin-1-yl)-ethanone
CAS 603947-81-5C20H25N5O2S
1-(2,6-Dimethyl-piperidin-1-yl)-2-(8-methoxy-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-ethanone chemical structure, C20H25N5O2S, CAS 603947-61-1
1-(2,6-Dimethyl-piperidin-1-yl)-2-(8-methoxy-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-ethanone
CAS 603947-61-1C20H25N5O2S
2-[(5-Methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone chemical structure, C17H19N5OS, CAS 296770-72-4
2-[(5-Methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CAS 296770-72-4C17H19N5OS
1-(2,6-Dimethylpiperidin-1-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone chemical structure, C19H23N5OS, CAS 603946-12-9
1-(2,6-Dimethylpiperidin-1-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CAS 603946-12-9C19H23N5OS
Piperidine, 1-[[(5,8-dimethyl-5H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-4-methyl- chemical structure, C19H23N5OS, CAS 603946-47-0
Piperidine, 1-[[(5,8-dimethyl-5H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-4-methyl-
CAS 603946-47-0C19H23N5OS
2-[(5,8-Dimethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone chemical structure, C19H23N5OS, CAS 603946-48-1
2-[(5,8-Dimethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CAS 603946-48-1C19H23N5OS
1-(2,6-Dimethylpiperidin-1-yl)-2-[(5,8-dimethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone chemical structure, C20H25N5OS, CAS 603946-49-2
1-(2,6-Dimethylpiperidin-1-yl)-2-[(5,8-dimethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CAS 603946-49-2C20H25N5OS
2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone chemical structure, C19H23N5OS, CAS 603946-64-1
2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CAS 603946-64-1C19H23N5OS
Piperidine, 1-[[(8-ethyl-5-methyl-5H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-2-methyl- chemical structure, C20H25N5OS, CAS 603946-75-4
Piperidine, 1-[[(8-ethyl-5-methyl-5H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-2-methyl-
CAS 603946-75-4C20H25N5OS
1-(2,6-Dimethylpiperidin-1-yl)-2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone chemical structure, C21H27N5OS, CAS 603946-76-5
1-(2,6-Dimethylpiperidin-1-yl)-2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CAS 603946-76-5C21H27N5OS
2-[(8-Methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone chemical structure, C18H21N5O2S, CAS 603947-53-1
2-[(8-Methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CAS 603947-53-1C18H21N5O2S
2-[(8-Ethoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone chemical structure, C19H23N5O2S, CAS 603947-74-6
2-[(8-Ethoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CAS 603947-74-6C19H23N5O2S
Piperidine, 1-[[(8-fluoro-5-methyl-5H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-4-methyl- chemical structure, C18H20FN5OS, CAS 603948-15-8
Piperidine, 1-[[(8-fluoro-5-methyl-5H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-4-methyl-
CAS 603948-15-8C18H20FN5OS
1-(4-Methylpiperidin-1-yl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone chemical structure, C18H21N5OS, CAS 603946-23-2
1-(4-Methylpiperidin-1-yl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CAS 603946-23-2C18H21N5OS
Piperidine, 2-methyl-1-[[(8-methyl-2H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]- chemical structure, C18H21N5OS, CAS 603946-24-3
Piperidine, 2-methyl-1-[[(8-methyl-2H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-
CAS 603946-24-3C18H21N5OS
1-(2,6-Dimethylpiperidin-1-yl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone chemical structure, C19H23N5OS, CAS 603946-25-4
1-(2,6-Dimethylpiperidin-1-yl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CAS 603946-25-4C19H23N5OS
Piperidine, 1-[[(8-chloro-2H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-2-methyl- chemical structure, C17H18ClN5OS, CAS 603946-89-0
Piperidine, 1-[[(8-chloro-2H-1,2,4-triazino[5,6-B]indol-3-yl)thio]acetyl]-2-methyl-
CAS 603946-89-0C17H18ClN5OS
2-[(8-Chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone chemical structure, C18H20ClN5OS, CAS 603946-90-3
2-[(8-Chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CAS 603946-90-3C18H20ClN5OS
Piperidine, 1-[[[8-(1-methylethyl)-2H-1,2,4-triazino[5,6-B]indol-3-yl]thio]acetyl]- chemical structure, C19H23N5OS, CAS 603947-17-7
Piperidine, 1-[[[8-(1-methylethyl)-2H-1,2,4-triazino[5,6-B]indol-3-yl]thio]acetyl]-
CAS 603947-17-7C19H23N5OS
1-(4-Methylpiperidin-1-yl)-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone chemical structure, C20H25N5OS, CAS 603947-29-1
1-(4-Methylpiperidin-1-yl)-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CAS 603947-29-1C20H25N5OS
1-(2-Methylpiperidin-1-yl)-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone chemical structure, C20H25N5OS, CAS 603947-30-4
1-(2-Methylpiperidin-1-yl)-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CAS 603947-30-4C20H25N5OS
1-(2,6-Dimethylpiperidin-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone chemical structure, C18H20FN5OS, CAS 603947-97-3
1-(2,6-Dimethylpiperidin-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CAS 603947-97-3C18H20FN5OS