Murcko scaffold
Ring system with 5 rings and 26 atoms
416 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 26
- Chemicals
- 416
- With full pages
- 12
Scaffold SMILES
O=c1[nH]c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)[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(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)[nH]1](/scaffold/DFQBXYIOCBTMIP-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 385 to 416 of 416 chemicals
![2-[8-(3-Methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]acetic acid chemical structure, C23H19N5O5, CAS 949288-28-2](/s/AWRFHSZTXLMETQ-UHFFFAOYSA-N.svg)
2-[8-(3-Methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]acetic acid
CAS 949288-28-2C23H19N5O5
![Methyl 2-(8-(5-chloro-2-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C24H20ClN5O5, CAS 886900-31-8](/s/DNTSWOJGGSIXDY-UHFFFAOYSA-N.svg)
Methyl 2-(8-(5-chloro-2-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 886900-31-8C24H20ClN5O5
![8-(2-Ethoxyphenyl)-7-(4-fluorophenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H18FN5O3, CAS 919012-84-3](/s/BQPDDEFQUWOQNR-UHFFFAOYSA-N.svg)
8-(2-Ethoxyphenyl)-7-(4-fluorophenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 919012-84-3C22H18FN5O3
![Methyl 2-(1-methyl-2,4-dioxo-7,8-diphenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C23H19N5O4, CAS 887880-81-1](/s/XXQWGUULIVGEBB-UHFFFAOYSA-N.svg)
Methyl 2-(1-methyl-2,4-dioxo-7,8-diphenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 887880-81-1C23H19N5O4
![Methyl 2-(1-methyl-2,4-dioxo-7-phenyl-8-(m-tolyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C24H21N5O4, CAS 886895-99-4](/s/SKPVMFCLYZJMBH-UHFFFAOYSA-N.svg)
Methyl 2-(1-methyl-2,4-dioxo-7-phenyl-8-(m-tolyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 886895-99-4C24H21N5O4
![3-Ethyl-8-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C23H21N5O3, CAS 886896-93-1](/s/SZRIACUVSZODPQ-UHFFFAOYSA-N.svg)
3-Ethyl-8-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 886896-93-1C23H21N5O3
![2-[8-(2-Methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]acetamide chemical structure, C23H20N6O4, CAS 896294-92-1](/s/GYJKTDWJYRQXPJ-UHFFFAOYSA-N.svg)
2-[8-(2-Methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]acetamide
CAS 896294-92-1C23H20N6O4
![8-(3-Methoxyphenyl)-1-methyl-3-(2-methylallyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H23N5O3, CAS 896295-19-5](/s/WDGUHLJUQXSQNG-UHFFFAOYSA-N.svg)
8-(3-Methoxyphenyl)-1-methyl-3-(2-methylallyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896295-19-5C25H23N5O3
![Methyl 2-(8-(4-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C24H21N5O5, CAS 886897-39-8](/s/OWMDUMMIVIZMKT-UHFFFAOYSA-N.svg)
Methyl 2-(8-(4-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 886897-39-8C24H21N5O5
![2-(8-(2,4-Dimethoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide chemical structure, C24H22N6O5, CAS 896297-11-3](/s/YGDXDHMUVXQLJF-UHFFFAOYSA-N.svg)
2-(8-(2,4-Dimethoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide
CAS 896297-11-3C24H22N6O5
![8-(2,4-Dimethoxyphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H23N5O5, CAS 886897-62-7](/s/GPLVFUPUVQHYHG-UHFFFAOYSA-N.svg)
8-(2,4-Dimethoxyphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 886897-62-7C25H23N5O5
![8-(4-Ethoxyphenyl)-3-(3-hydroxypropyl)-1-methyl-7-phenyl-1,3,5-trihydro-4-imid azolino[1,2-h]purine-2,4-dione chemical structure, C25H25N5O4, CAS 896297-51-1](/s/TWAPDWNMRPONOV-UHFFFAOYSA-N.svg)
8-(4-Ethoxyphenyl)-3-(3-hydroxypropyl)-1-methyl-7-phenyl-1,3,5-trihydro-4-imid azolino[1,2-h]purine-2,4-dione
CAS 896297-51-1C25H25N5O4
![8-(3-Chlorophenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C23H20ClN5O3, CAS 896299-13-1](/s/XEEURBZPGZEVRV-UHFFFAOYSA-N.svg)
8-(3-Chlorophenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896299-13-1C23H20ClN5O3
![8-(3-Chloro-2-methylphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C24H20ClN5O3, CAS 886899-04-3](/s/XRDBRPRQILLKLR-UHFFFAOYSA-N.svg)
8-(3-Chloro-2-methylphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 886899-04-3C24H20ClN5O3
![8-(5-Chloro-2-methylphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C24H20ClN5O3, CAS 886899-39-4](/s/PZDGMBRNOMRGGH-UHFFFAOYSA-N.svg)
8-(5-Chloro-2-methylphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 886899-39-4C24H20ClN5O3
![8-(3-Chloro-4-methoxyphenyl)-1-methyl-3-(3-oxobutan-2-yl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H22ClN5O4, CAS 896300-58-6](/s/ICXNVFDTFUAUMS-UHFFFAOYSA-N.svg)
8-(3-Chloro-4-methoxyphenyl)-1-methyl-3-(3-oxobutan-2-yl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896300-58-6C25H22ClN5O4
![8-(5-Chloro-2-methoxyphenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1,3,5-trihyd ro-4-imidazolino[1,2-h]purine-2,4-dione chemical structure, C24H22ClN5O4, CAS 896300-70-2](/s/BEALNOGAHFFYST-UHFFFAOYSA-N.svg)
8-(5-Chloro-2-methoxyphenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1,3,5-trihyd ro-4-imidazolino[1,2-h]purine-2,4-dione
CAS 896300-70-2C24H22ClN5O4
![2-(8-(5-Chloro-2-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide chemical structure, C23H19ClN6O4, CAS 886900-36-3](/s/VYFFHBLAGQHUOY-UHFFFAOYSA-N.svg)
2-(8-(5-Chloro-2-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide
CAS 886900-36-3C23H19ClN6O4
![8-(2-Methoxy-5-methylphenyl)-1-methyl-3-(2-methylallyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C26H25N5O3, CAS 886900-66-9](/s/HZCRZHAYABLQOO-UHFFFAOYSA-N.svg)
8-(2-Methoxy-5-methylphenyl)-1-methyl-3-(2-methylallyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 886900-66-9C26H25N5O3
![8-(2,5-Dimethoxyphenyl)-1-methyl-7-phenyl-3-propyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H25N5O4, CAS 886901-21-9](/s/IVQHFKPTBZPEOO-UHFFFAOYSA-N.svg)
8-(2,5-Dimethoxyphenyl)-1-methyl-7-phenyl-3-propyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 886901-21-9C25H25N5O4
![2-(8-(2,5-Dimethoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide chemical structure, C24H22N6O5, CAS 886901-53-7](/s/LCCSNWSJKVSZBQ-UHFFFAOYSA-N.svg)
2-(8-(2,5-Dimethoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide
CAS 886901-53-7C24H22N6O5
![8-(2,5-Dimethoxyphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H23N5O5, CAS 886901-58-2](/s/PRZPJLXTCSJURU-UHFFFAOYSA-N.svg)
8-(2,5-Dimethoxyphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 886901-58-2C25H23N5O5
![3-(2-Ethoxyethyl)-1-methyl-7-phenyl-8-(4-(trifluoromethyl)phenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H22F3N5O3, CAS 899988-34-2](/s/MGWZYVJHSKFMDP-UHFFFAOYSA-N.svg)
3-(2-Ethoxyethyl)-1-methyl-7-phenyl-8-(4-(trifluoromethyl)phenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 899988-34-2C25H22F3N5O3
![8-(2-Ethoxyphenyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C23H20FN5O3, CAS 941924-31-8](/s/DDVJFIVOGKCQSP-UHFFFAOYSA-N.svg)
8-(2-Ethoxyphenyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 941924-31-8C23H20FN5O3
- 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(4-fluorophenyl)-1,3-dimethyl-6-pentyl-7-phenyl-1011407-11-6C26H26FN5O2
- 2-(8-(2-Chlorophenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetic acid1010911-75-7C22H16ClN5O4
- 2-(8-(4-Fluorophenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetic acid1010872-43-1C22H16FN5O4
- 7-(5-Hydroxy-2-Methylphenyl)-8-(2-Methoxyphenyl)-1-Methyl-1H-Imidazo[2,1-F]purine-2,4(3H,8H)-Dione1192216-03-7C22H19N5O4
- 8-(4-Methoxyphenyl)-1-methyl-3-(3-oxobutan-2-yl)-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione886897-57-0C25H23N5O4
- 8-(4-Hydroxyphenyl)-1-methyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione1279217-23-0C20H15N5O3
- 8-(4-Ethylphenyl)-1-methyl-7-phenyl-3-(prop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione922690-49-1C25H23N5O2
- 2-[8-(5-Chloro-2-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]acetic acid1795306-04-5C23H18ClN5O5