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Murcko scaffold

Ring system with 5 rings and 26 atoms

4 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
26
Chemicals
4
With full pages
1
Scaffold SMILES

O=c1[nH]c2cnc3ccc(-c4cccnc4)cc3c2n1C1CCNCC1

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]c2cnc3ccc(-c4cccnc4)cc3c2n1C1CCNCC1

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 4 of 4 chemicals

PI3K/mTOR Inhibitor-3 chemical structure, C22H23N5O, CAS 1363338-53-7
PI3K/mTOR Inhibitor-3
CAS 1363338-53-7C22H23N5O
3-Methyl-8-(6-methylpyridin-3-yl)-1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-c]quinolin-2-one trihydrochloride chemical structure, C22H26Cl3N5O, CAS 2680542-62-3
3-Methyl-8-(6-methylpyridin-3-yl)-1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-c]quinolin-2-one trihydrochloride
CAS 2680542-62-3C22H26Cl3N5O
Ktc2hlr3RE chemical structure, C23H23F2N5O2, CAS 2765448-96-0
Ktc2hlr3RE
CAS 2765448-96-0C23H23F2N5O2
1-[(4S)-3,3-Difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one chemical structure, C23H23F2N5O2, CAS 2765449-10-1
1-[(4S)-3,3-Difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CAS 2765449-10-1C23H23F2N5O2