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Murcko scaffold

Ring system with 4 rings and 23 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
5
With full pages
3
Scaffold SMILES

O=C1CCCc2c1cnn2-c1cccc(NC2CCCCC2)c1

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=C1CCCc2c1cnn2-c1cccc(NC2CCCCC2)c1

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

4-(6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-((1r,4r)-4-hydroxycyclohexylamino)benzamide chemical structure, C23H27F3N4O3, CAS 908112-43-6
4-(6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-((1r,4r)-4-hydroxycyclohexylamino)benzamide
CAS 908112-43-6C23H27F3N4O3
2-[(4-Hydroxycyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide chemical structure, C23H30N4O3, CAS 908112-37-8
2-[(4-Hydroxycyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CAS 908112-37-8C23H30N4O3
SNX-5422 mesylate chemical structure, C26H34F3N5O7S, CAS 1173111-67-5
SNX-5422 mesylate
CAS 1173111-67-5C26H34F3N5O7S
Snx-5422 chemical structure, C25H30F3N5O4, CAS 908115-27-5
Snx-5422
CAS 908115-27-5C25H30F3N5O4
4-[6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzoic acid chemical structure, C23H26F3N3O4, CAS 1354448-64-8
4-[6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzoic acid
CAS 1354448-64-8C23H26F3N3O4