Murcko scaffold
Ring system with 5 rings and 29 atoms
17 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 29
- Chemicals
- 17
- With full pages
- 3
Scaffold SMILES
O=c1c2ccccc2c(-c2ccccc2)nn1-c1cccc(N2CCNCC2)c1
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.
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 17 of 17 chemicals
![2-[5-(4-Methyl-piperazin-1-yl)-2-nitro-phenyl]-4-phenyl-2H-phthalazin-1-one chemical structure, C25H23N5O3, CAS 329922-67-0](/s/PLHTVUFOHHOCSF-UHFFFAOYSA-N.svg)
2-[5-(4-Methyl-piperazin-1-yl)-2-nitro-phenyl]-4-phenyl-2H-phthalazin-1-one
CAS 329922-67-0C25H23N5O3
![4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one chemical structure, C25H22FN5O3, CAS 331677-20-4](/s/LEWHGNBHEWOUBE-UHFFFAOYSA-N.svg)
4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
CAS 331677-20-4C25H22FN5O3
![4-(3,4-Dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one chemical structure, C27H27N5O3, CAS 317324-53-1](/s/ZLCGTXZMMGSJOB-UHFFFAOYSA-N.svg)
4-(3,4-Dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
CAS 317324-53-1C27H27N5O3
![4-(3,4-Dimethylphenyl)-2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one chemical structure, C28H29N5O4, CAS 6147-49-5](/s/WCPONQZHYSLMOS-UHFFFAOYSA-N.svg)
4-(3,4-Dimethylphenyl)-2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
CAS 6147-49-5C28H29N5O4
4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
CAS 642429-80-9C26H25N5O3
![4-(2,5-Dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one chemical structure, C27H27N5O3, CAS 642429-82-1](/s/DWIWRLWXZBCHFJ-UHFFFAOYSA-N.svg)
4-(2,5-Dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
CAS 642429-82-1C27H27N5O3
4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
CAS 591735-73-8C24H20ClN5O3
![2-[5-(4-Acetylpiperazin-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one chemical structure, C26H23N5O4, CAS 591736-87-7](/s/WWDSZGFHEMNJLZ-UHFFFAOYSA-N.svg)
2-[5-(4-Acetylpiperazin-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one
CAS 591736-87-7C26H23N5O4
4-(4-Methylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
CAS 591726-43-1C25H23N5O3
![4-(4-Methylphenyl)-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one chemical structure, C26H25N5O5S, CAS 591726-50-0](/s/BUROKEMPVIWYDG-UHFFFAOYSA-N.svg)
4-(4-Methylphenyl)-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
CAS 591726-50-0C26H25N5O5S
![2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one chemical structure, C26H25N5O5S, CAS 593237-63-9](/s/BPXQCJHGAOJRFQ-UHFFFAOYSA-N.svg)
2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one
CAS 593237-63-9C26H25N5O5S
![4-(4-Chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one chemical structure, C26H24ClN5O4, CAS 591765-51-4](/s/CMAALOWOWDRXFH-UHFFFAOYSA-N.svg)
4-(4-Chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one
CAS 591765-51-4C26H24ClN5O4
![4-(4-Methylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one chemical structure, C26H25N5O3, CAS 591765-52-5](/s/MTZYZAOSBCTCKF-UHFFFAOYSA-N.svg)
4-(4-Methylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
CAS 591765-52-5C26H25N5O3
![4-(4-Chlorophenyl)-2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one chemical structure, C29H28ClN5O4, CAS 593237-84-4](/s/FDDRGFKLRDIZQJ-UHFFFAOYSA-N.svg)
4-(4-Chlorophenyl)-2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one
CAS 593237-84-4C29H28ClN5O4
![2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one chemical structure, C27H27N5O5S, CAS 593237-64-0](/s/TUVBCVKVWHPIPU-UHFFFAOYSA-N.svg)
2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one
CAS 593237-64-0C27H27N5O5S
![4-(4-Chlorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one chemical structure, C25H22ClN5O3, CAS 672920-60-4](/s/AQYLZFAAMVSOIX-UHFFFAOYSA-N.svg)
4-(4-Chlorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
CAS 672920-60-4C25H22ClN5O3
![4-(4-Chlorophenyl)-2-[5-(4-ethylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one chemical structure, C26H24ClN5O3, CAS 708294-07-9](/s/NTYAFQMQKICMGZ-UHFFFAOYSA-N.svg)
4-(4-Chlorophenyl)-2-[5-(4-ethylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
CAS 708294-07-9C26H24ClN5O3