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Murcko scaffold

Ring system with 5 rings and 28 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
7
With full pages
2
Scaffold SMILES

c1ccc(Nc2ncc3c(n2)-c2ccccc2C(c2ccccc2)=NC3)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 c1ccc(Nc2ncc3c(n2)-c2ccccc2C(c2ccccc2)=NC3)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 7 of 7 chemicals

Mln8054 chemical structure, C25H15ClF2N4O2, CAS 869363-13-3
Mln8054
CAS 869363-13-3C25H15ClF2N4O2
Alisertib chemical structure, C27H20ClFN4O4, CAS 1028486-01-2
Alisertib
CAS 1028486-01-2C27H20ClFN4O4
Alisertib sodium chemical structure, C27H21ClFN4NaO5, CAS 1208255-63-3
Alisertib sodium
CAS 1208255-63-3C27H21ClFN4NaO5
Alisertib sodium anhydrous chemical structure, C27H19ClFN4NaO4, CAS 1028486-06-7
Alisertib sodium anhydrous
CAS 1028486-06-7C27H19ClFN4NaO4
MLN8054 sodium chemical structure, C25H14ClF2N4NaO2, CAS 869366-15-4
MLN8054 sodium
CAS 869366-15-4C25H14ClF2N4NaO2
MLN 8054-d4 chemical structure, C25H15ClF2N4O2, CAS 1346600-37-0
MLN 8054-d4
CAS 1346600-37-0C25H15ClF2N4O2
o-Desmethyl alisertib chemical structure, C26H18ClFN4O4, CAS 1028486-04-5
o-Desmethyl alisertib
CAS 1028486-04-5C26H18ClFN4O4