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Murcko scaffold

Ring system with 4 rings and 24 atoms

11 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
11
With full pages
2
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(N3CCC(Cc4ccccc4)CC3)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.

Substructure search with this scaffold
Murcko scaffold O=c1[nH]c(=O)c2[nH]c(N3CCC(Cc4ccccc4)CC3)nc2[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 11 of 11 chemicals

8-(4-Benzyl-piperidin-1-yl)-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione chemical structure, C22H27N5O2, CAS 672343-65-6
8-(4-Benzyl-piperidin-1-yl)-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione
CAS 672343-65-6C22H27N5O2
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-prop-2-enylpurine-2,6-dione chemical structure, C21H25N5O2, CAS 672945-37-8
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-prop-2-enylpurine-2,6-dione
CAS 672945-37-8C21H25N5O2
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C23H31N5O2, CAS 674332-36-6
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 674332-36-6C23H31N5O2
8-(4-Benzylpiperidin-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione chemical structure, C21H27N5O3, CAS 713129-29-4
8-(4-Benzylpiperidin-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CAS 713129-29-4C21H27N5O3
8-(4-Benzylpiperidin-1-yl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25N5O3, CAS 862198-32-1
8-(4-Benzylpiperidin-1-yl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 862198-32-1C20H25N5O3
8-(4-Benzylpiperidin-1-yl)-7-hexyl-3-methylpurine-2,6-dione chemical structure, C24H33N5O2, CAS 674332-46-8
8-(4-Benzylpiperidin-1-yl)-7-hexyl-3-methylpurine-2,6-dione
CAS 674332-46-8C24H33N5O2
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione chemical structure, C23H31N5O2, CAS 674364-76-2
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione
CAS 674364-76-2C23H31N5O2
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-octylpurine-2,6-dione chemical structure, C26H37N5O2, CAS 672933-86-7
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-octylpurine-2,6-dione
CAS 672933-86-7C26H37N5O2
(Z)-8-(4-Benzylpiperidin-1-yl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26ClN5O2, CAS 877646-22-5
(Z)-8-(4-Benzylpiperidin-1-yl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 877646-22-5C22H26ClN5O2
2-(8-(4-Benzylpiperidin-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C20H23N5O4, CAS 946273-04-7
2-(8-(4-Benzylpiperidin-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 946273-04-7C20H23N5O4
2-(8-(4-Benzylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C21H25N5O4, CAS 1021099-37-5
2-(8-(4-Benzylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 1021099-37-5C21H25N5O4