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Murcko scaffold

Ring system with 5 rings and 29 atoms

5 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
5
With full pages
3
Scaffold SMILES

O=C1Nc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2Nc2ccccc21

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=C1Nc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2Nc2ccccc21

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 5 of 5 chemicals

2-((4-(4-Hydroxypiperidin-1-yl)-2-methoxyphenyl)amino-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one chemical structure, C25H28N6O3, CAS 1234480-51-3
2-((4-(4-Hydroxypiperidin-1-yl)-2-methoxyphenyl)amino-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one
CAS 1234480-51-3C25H28N6O3
Xmd8-92 chemical structure, C26H30N6O3, CAS 1234480-50-2
Xmd8-92
CAS 1234480-50-2C26H30N6O3
2-((4-(4-Hydroxypiperidin-1-Yl)phenyl)amino)-5,11-Dimethyl-5H-Benzo[e]pyrimido [5,4-B][1,4]diazepin-6(11H)-One chemical structure, C24H26N6O2, CAS 1234481-08-3
2-((4-(4-Hydroxypiperidin-1-Yl)phenyl)amino)-5,11-Dimethyl-5H-Benzo[e]pyrimido [5,4-B][1,4]diazepin-6(11H)-One
CAS 1234481-08-3C24H26N6O2
2-[4-(4-Hydroxypiperidin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one chemical structure, C23H24N6O2, CAS 1345098-78-3
2-[4-(4-Hydroxypiperidin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
CAS 1345098-78-3C23H24N6O2
XMD 8-92 trifluoroacetate chemical structure, C28H31F3N6O5, CAS 2108526-77-6
XMD 8-92 trifluoroacetate
CAS 2108526-77-6C28H31F3N6O5