Murcko scaffold
Ring system with 5 rings and 32 atoms
14 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 32
- Chemicals
- 14
- With full pages
- 3
Scaffold SMILES
O=c1[nH]c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2ccccc2)[nH]1
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.
![Murcko scaffold O=c1[nH]c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2ccccc2)[nH]1](/scaffold/WILKZQLTLMLJAD-UHFFFAOYSA-N/structure.svg)
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 14 of 14 chemicals
![8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C26H28ClFN6O2, CAS 577982-27-5](/s/CTUGWTCIGVXHLS-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 577982-27-5C26H28ClFN6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C26H29ClN6O2, CAS 585558-76-5](/s/RAEHEZBAMSEAJT-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 585558-76-5C26H29ClN6O2
![7-Benzyl-8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C26H30N6O2, CAS 838899-62-0](/s/OYFXHNSARZHDQX-UHFFFAOYSA-N.svg)
7-Benzyl-8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 838899-62-0C26H30N6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C26H29ClN6O2, CAS 840482-39-5](/s/VWUZWIMUBHBTEY-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 840482-39-5C26H29ClN6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione chemical structure, C27H32N6O2, CAS 851939-26-9](/s/FGDNVECTQNDFFL-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
CAS 851939-26-9C27H32N6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione chemical structure, C27H32N6O2, CAS 851938-22-2](/s/IKUPCIZGFDJTDZ-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CAS 851938-22-2C27H32N6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione chemical structure, C26H30N6O2, CAS 847407-97-0](/s/QUYHMIYPKXWPPN-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CAS 847407-97-0C26H30N6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione chemical structure, C27H32N6O2, CAS 851938-80-2](/s/XQDLXICTKUFXHA-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CAS 851938-80-2C27H32N6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C26H30N6O2, CAS 862979-52-0](/s/SLAQSPGUWQHAMO-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 862979-52-0C26H30N6O2
8-((4-Benzylpiperazin-1-yl)methyl)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 851940-32-4C26H28Cl2N6O2
8-((4-Benzylpiperazin-1-yl)methyl)-7-(2-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 862979-63-3C25H27FN6O2
8-((4-Benzylpiperazin-1-yl)methyl)-7-(2,4-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 924737-91-7C25H26Cl2N6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C25H27FN6O2, CAS 847408-15-5](/s/ZKZPKIBCOBSMBP-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 847408-15-5C25H27FN6O2
![8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C25H26ClFN6O2, CAS 2640963-81-9](/s/ITPSADZOECRLJS-UHFFFAOYSA-N.svg)
8-[(4-Benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 2640963-81-9C25H26ClFN6O2