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Murcko scaffold

Ring system with 4 rings and 28 atoms

18 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
18
With full pages
3
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCCCCC3)n2CCCOc2ccccc2)[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.

Substructure search with this scaffold
Murcko scaffold O=c1[nH]c(=O)c2c(nc(N3CCCCCC3)n2CCCOc2ccccc2)[nH]1

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 18 of 18 chemicals

8-Azepan-1-yl-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C22H29N5O4, CAS 799258-01-8
8-Azepan-1-yl-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS 799258-01-8C22H29N5O4
8-(Azepan-1-yl)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H28ClN5O4, CAS 333305-44-5
8-(Azepan-1-yl)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333305-44-5C22H28ClN5O4
8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methylpurine-2,6-dione chemical structure, C21H26IN5O4, CAS 331418-94-1
8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methylpurine-2,6-dione
CAS 331418-94-1C21H26IN5O4
8-(Azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27N5O4, CAS 102838-06-2
8-(Azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 102838-06-2C21H27N5O4
8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione chemical structure, C21H26N6O6, CAS 326919-29-3
8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione
CAS 326919-29-3C21H26N6O6
8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione chemical structure, C22H29N5O5, CAS 313230-40-9
8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione
CAS 313230-40-9C22H29N5O5
8-(Azepan-1-yl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H26ClN5O4, CAS 331675-16-2
8-(Azepan-1-yl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 331675-16-2C21H26ClN5O4
8-(Azepan-1-yl)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H29N5O4, CAS 330202-14-7
8-(Azepan-1-yl)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 330202-14-7C22H29N5O4
8-(Azepan-1-yl)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H31N5O5, CAS 333755-42-3
8-(Azepan-1-yl)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333755-42-3C23H31N5O5
8-(Azepan-1-yl)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27N5O3, CAS 876892-67-0
8-(Azepan-1-yl)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione
CAS 876892-67-0C21H27N5O3
8-(Azepan-1-yl)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H31N5O4, CAS 879071-64-4
8-(Azepan-1-yl)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 879071-64-4C23H31N5O4
8-(Azepan-1-yl)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H33N5O4, CAS 899997-27-4
8-(Azepan-1-yl)-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 899997-27-4C24H33N5O4
8-(Azepan-1-yl)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H31N5O4, CAS 919017-98-4
8-(Azepan-1-yl)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 919017-98-4C23H31N5O4
8-(Azepan-1-yl)-7-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C25H35N5O4, CAS 941937-44-6
8-(Azepan-1-yl)-7-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 941937-44-6C25H35N5O4
8-(Azepan-1-yl)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H33N5O4, CAS 941964-65-4
8-(Azepan-1-yl)-7-(3-(3-ethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 941964-65-4C24H33N5O4
8-(Azepan-1-yl)-7-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C26H37N5O4, CAS 923157-18-0
8-(Azepan-1-yl)-7-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 923157-18-0C26H37N5O4
8-(Azepan-1-yl)-7-(3-(2,4-dichlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H27Cl2N5O4, CAS 923211-78-3
8-(Azepan-1-yl)-7-(3-(2,4-dichlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 923211-78-3C22H27Cl2N5O4
8-(Azepan-1-yl)-1,3-dimethyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H29N5O3, CAS 1105244-67-4
8-(Azepan-1-yl)-1,3-dimethyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione
CAS 1105244-67-4C22H29N5O3