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Murcko scaffold

Ring system with 4 rings and 27 atoms

49 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
49
With full pages
9
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCCCC3)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(N3CCCCC3)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 48 of 49 chemicals

7-(2-Hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H24N6O6, CAS 300389-82-6
7-(2-Hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 300389-82-6C20H24N6O6
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H24ClN5O4, CAS 331675-15-1
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 331675-15-1C20H24ClN5O4
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27N5O5, CAS 313551-75-6
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313551-75-6C21H27N5O5
7-[3-(4-Ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione chemical structure, C22H29N5O4, CAS 313665-48-4
7-[3-(4-Ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CAS 313665-48-4C22H29N5O4
7-(2-Hydroxy-3-phenoxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25N5O4, CAS 102838-04-0
7-(2-Hydroxy-3-phenoxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 102838-04-0C20H25N5O4
7-[2-Hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H27N5O4, CAS 332897-94-6
7-[2-Hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 332897-94-6C21H27N5O4
7-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione chemical structure, C22H29N5O5, CAS 333755-38-7
7-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione
CAS 333755-38-7C22H29N5O5
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H26ClN5O4, CAS 333305-39-8
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 333305-39-8C21H26ClN5O4
3-Methyl-7-(3-phenoxypropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25N5O3, CAS 876892-45-4
3-Methyl-7-(3-phenoxypropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 876892-45-4C20H25N5O3
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H29N5O4, CAS 878452-25-6
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 878452-25-6C22H29N5O4
7-(3-(3,4-Dimethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H29N5O4, CAS 879071-57-5
7-(3-(3,4-Dimethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 879071-57-5C22H29N5O4
7-(3-(3,4-Dimethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H31N5O4, CAS 879072-34-1
7-(3-(3,4-Dimethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 879072-34-1C23H31N5O4
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H31N5O4, CAS 941974-80-7
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 941974-80-7C23H31N5O4
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H31N5O4, CAS 941886-06-2
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 941886-06-2C23H31N5O4
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C24H33N5O4, CAS 941964-71-2
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 941964-71-2C24H33N5O4
7-(2-Hydroxy-3-phenoxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27N5O4, CAS 919017-44-0
7-(2-Hydroxy-3-phenoxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 919017-44-0C21H27N5O4
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H26ClN5O4, CAS 919017-47-3
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 919017-47-3C21H26ClN5O4
7-(2-Hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H29N5O4, CAS 919017-50-8
7-(2-Hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 919017-50-8C22H29N5O4
7-(2-Hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H29N5O4, CAS 919017-53-1
7-(2-Hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 919017-53-1C22H29N5O4
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H29N5O4, CAS 919017-56-4
7-(2-Hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 919017-56-4C22H29N5O4
7-[3-(3-Ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C23H31N5O4, CAS 919017-62-2
7-[3-(3-Ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 919017-62-2C23H31N5O4
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H31N5O4, CAS 919018-04-5
7-(3-(3-Ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 919018-04-5C23H31N5O4
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H29N5O5, CAS 941965-09-9
7-(2-Hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 941965-09-9C22H29N5O5
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H26ClN5O4, CAS 919020-18-1
7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 919020-18-1C21H26ClN5O4