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Murcko scaffold

Ring system with 3 rings and 25 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
25
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1CCc2cccc(c2)OCC(C(=O)N2CC=CC2)NC(=O)CN1

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=C1CCc2cccc(c2)OCC(C(=O)N2CC=CC2)NC(=O)CN1

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

Phomopsin A chemical structure, C36H45ClN6O12, CAS 64925-80-0
Phomopsin A
CAS 64925-80-0C36H45ClN6O12
Phomopsinamine chemical structure, C32H43ClN6O8, CAS 89085-54-1
Phomopsinamine
CAS 89085-54-1C32H43ClN6O8
Phomopsin D chemical structure, C36H47ClN6O12, CAS 175617-09-1
Phomopsin D
CAS 175617-09-1C36H47ClN6O12
Aspartic acid, (I(2)S)-3-chloro-I(2),5-dihydroxy-N,N-dimethyl-L-tyrosyl-3,4-didehydro-L-valyl-3-hydroxy-L-isoleucyl-3,4-didehydro-L-prolyl-(2E)-2,3-didehydroisoleucyl-2,3-didehydro-, cyclic (15a3)-ether, (2E)- chemical structure, C37H47ClN6O12, CAS 175644-67-4
Aspartic acid, (I(2)S)-3-chloro-I(2),5-dihydroxy-N,N-dimethyl-L-tyrosyl-3,4-didehydro-L-valyl-3-hydroxy-L-isoleucyl-3,4-didehydro-L-prolyl-(2E)-2,3-didehydroisoleucyl-2,3-didehydro-, cyclic (15a3)-ether, (2E)-
CAS 175644-67-4C37H47ClN6O12