Murcko scaffold
Ring system with 4 rings and 27 atoms
33 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 27
- Chemicals
- 33
- With full pages
- 12
Scaffold SMILES
O=c1[nH]c(=O)c2[nH]c(CN(Cc3ccccc3)Cc3ccccc3)nc2[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)c2[nH]c(CN(Cc3ccccc3)Cc3ccccc3)nc2[nH]1](/scaffold/LHCRCMLGNJCCKU-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 33 of 33 chemicals
![8-[(Dibenzylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione chemical structure, C22H23N5O2, CAS 578001-39-5](/s/RWMBUUVPVLVNSN-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione
CAS 578001-39-5C22H23N5O2
![7-Butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C26H31N5O2, CAS 851937-58-1](/s/WPAUMXYAVOBWIU-UHFFFAOYSA-N.svg)
7-Butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851937-58-1C26H31N5O2
![Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate chemical structure, C26H29N5O4, CAS 851940-52-8](/s/KZYHGSOKIKHECJ-UHFFFAOYSA-N.svg)
Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
CAS 851940-52-8C26H29N5O4
8-((Dibenzylamino)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 868143-56-0C21H21N5O2
![8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C26H29N5O2, CAS 578719-37-6](/s/LQKVMAIZDKCDPD-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 578719-37-6C26H29N5O2
![2-[8-[[Bis(phenylmethyl)amino]methyl]-3-methyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester chemical structure, C25H27N5O4, CAS 862979-82-6](/s/CJIQQWDNAAATEV-UHFFFAOYSA-N.svg)
2-[8-[[Bis(phenylmethyl)amino]methyl]-3-methyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester
CAS 862979-82-6C25H27N5O4
![8-[(Dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C25H29N5O3, CAS 862979-75-7](/s/LJLHXJXWVXKXNV-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 862979-75-7C25H29N5O3
![8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-propylpurine-2,6-dione chemical structure, C25H29N5O2, CAS 577990-50-2](/s/ULMHFADXHBTPDD-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-propylpurine-2,6-dione
CAS 577990-50-2C25H29N5O2
![8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione chemical structure, C40H59N5O2, CAS 673444-03-6](/s/BLPHVBKIYIIOHP-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione
CAS 673444-03-6C40H59N5O2
![8-[(Dibenzylamino)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione chemical structure, C29H37N5O2, CAS 851942-36-4](/s/LWGCUHYMQVYEAR-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione
CAS 851942-36-4C29H37N5O2
8-((Dibenzylamino)methyl)-7-isobutyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 851941-74-7C26H31N5O2
![7-Decyl-8-[(dibenzylamino)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C32H43N5O2, CAS 674818-47-4](/s/JXBWUNFOOHUTRW-UHFFFAOYSA-N.svg)
7-Decyl-8-[(dibenzylamino)methyl]-1,3-dimethylpurine-2,6-dione
CAS 674818-47-4C32H43N5O2
![8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione chemical structure, C27H33N5O2, CAS 851941-96-3](/s/CNIAECVLCLGMAB-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CAS 851941-96-3C27H33N5O2
8-((Dibenzylamino)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
CAS 578746-14-2C26H29N5O3
![8-[(Dibenzylamino)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C25H29N5O3, CAS 840514-99-0](/s/GHYSLQZQBXIQIL-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 840514-99-0C25H29N5O3
![8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione chemical structure, C27H33N5O2, CAS 586987-60-2](/s/CRNRECBODNKYBD-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione
CAS 586987-60-2C27H33N5O2
![8-[(Dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C26H31N5O3, CAS 587004-71-5](/s/JQZRFLBCVGXGAL-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 587004-71-5C26H31N5O3
8-((Dibenzylamino)methyl)-1,3-dimethyl-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione
CAS 578732-59-9C25H27N5O3
![2-{8-[(Dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide chemical structure, C24H26N6O3, CAS 578718-74-8](/s/GYUXDHAMGNJMAY-UHFFFAOYSA-N.svg)
2-{8-[(Dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
CAS 578718-74-8C24H26N6O3
![8-[(Dibenzylamino)methyl]-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione chemical structure, C25H29N5O4, CAS 676154-64-6](/s/OPOFBGVNAGDAMO-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
CAS 676154-64-6C25H29N5O4
8-((Dibenzylamino)methyl)-7-(3-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 851941-40-7C25H29N5O3
![8-[(Dibenzylamino)methyl]-7-dodecyl-1,3-dimethylpurine-2,6-dione chemical structure, C34H47N5O2, CAS 674363-04-3](/s/GDYISBAGXJROMZ-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-7-dodecyl-1,3-dimethylpurine-2,6-dione
CAS 674363-04-3C34H47N5O2
![8-[(Dibenzylamino)methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione chemical structure, C28H35N5O2, CAS 851942-18-2](/s/XEQYKOBRQTUGHE-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione
CAS 851942-18-2C28H35N5O2
![8-[(Dibenzylamino)methyl]-3-methyl-7-pentylpurine-2,6-dione chemical structure, C26H31N5O2, CAS 862979-34-8](/s/ODPFOIVYWAIBQR-UHFFFAOYSA-N.svg)
8-[(Dibenzylamino)methyl]-3-methyl-7-pentylpurine-2,6-dione
CAS 862979-34-8C26H31N5O2
- 2-{8-[(Dibenzylamino)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetamide847409-46-5C23H24N6O3
- 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione862979-95-1C25H27N5O3
- 8-[(Dibenzylamino)methyl]-7-hexadecyl-1,3-dimethylpurine-2,6-dione674350-56-2C38H55N5O2
- 8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-octylpurine-2,6-dione672344-05-7C30H39N5O2
- 7-Allyl-8-((dibenzylamino)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione573971-76-3C25H27N5O2
- 8-((Dibenzylamino)methyl)-7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione899727-58-3C28H33N5O3
- 8-{[Bisbenzylamino]methyl}-3-methyl-7-propyl-1,3,7-trihydropurine-2,6-dione862979-30-4C24H27N5O2
- 8-{[Bisbenzylamino]methyl}-7-ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione862979-29-1C23H25N5O2
- 8-{[Bisbenzylamino]methyl}-7-butyl-3-methyl-1,3,7-trihydropurine-2,6-dione862979-31-5C25H29N5O2
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold c1ccc(CN(Cc2ccccn2)Cc2nc3ccccc3[nH]2)nc1](/scaffold/BFPRTGDUIGVXDA-UHFFFAOYSA-N/structure.svg)
![Scaffold O=P(Nc1nc2ccccc2[nH]1)(Oc1ccccc1)Oc1ccccc1](/scaffold/GBYXTGVJBPOPOY-UHFFFAOYSA-N/structure.svg)
