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Murcko scaffold

Ring system with 5 rings and 32 atoms

4 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
4
With full pages
2
Scaffold SMILES

O=C(Nc1n[nH]c2c1CN(C(=O)Cc1ccccc1)C2)c1ccc(N2CCNCC2)cc1

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=C(Nc1n[nH]c2c1CN(C(=O)Cc1ccccc1)C2)c1ccc(N2CCNCC2)cc1

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

Danusertib chemical structure, C26H30N6O3, CAS 827318-97-8
Danusertib
CAS 827318-97-8C26H30N6O3
Ethyl 5-[(2R)-2-methoxy-2-phenylethanoyl]-3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate chemical structure, C29H34N6O5, CAS 827318-78-5
Ethyl 5-[(2R)-2-methoxy-2-phenylethanoyl]-3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate
CAS 827318-78-5C29H34N6O5
4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]benzamide chemical structure, C26H30N6O3, CAS 1044136-93-7
4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]benzamide
CAS 1044136-93-7C26H30N6O3
Benzamide, N-[5-[2-(2,6-difluorophenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)- chemical structure, C25H26F2N6O2, CAS 1444384-89-7
Benzamide, N-[5-[2-(2,6-difluorophenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)-
CAS 1444384-89-7C25H26F2N6O2