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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
1
Scaffold SMILES

c1ccc(-c2cc(-c3cncc(-c4ccccc4)n3)on2)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(-c2cc(-c3cncc(-c4ccccc4)n3)on2)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 5 of 5 chemicals

5-(6-(4-(Isopropylsulfonyl)phenyl)pyrazin-2-yl)-3-phenylisoxazole chemical structure, C22H19N3O3S, CAS 1349198-22-6
5-(6-(4-(Isopropylsulfonyl)phenyl)pyrazin-2-yl)-3-phenylisoxazole
CAS 1349198-22-6C22H19N3O3S
N,N-Di(Boc)-5-[4-(isopropylsulfonyl)phenyl]-3-[3-(4-methyl)phenyl-5-isoxazolyl]pyrazin-2-amine chemical structure, C33H38N4O7S, CAS 1232424-00-8
N,N-Di(Boc)-5-[4-(isopropylsulfonyl)phenyl]-3-[3-(4-methyl)phenyl-5-isoxazolyl]pyrazin-2-amine
CAS 1232424-00-8C33H38N4O7S
Berzosertib chemical structure, C24H25N5O3S, CAS 1232416-25-9
Berzosertib
CAS 1232416-25-9C24H25N5O3S
Berzosertib hydrochloride chemical structure, C24H26ClN5O3S, CAS 1428935-04-9
Berzosertib hydrochloride
CAS 1428935-04-9C24H26ClN5O3S
tert-Butyl 2-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methylamino]acetate chemical structure, C39H49N5O9S, CAS 1428935-55-0
tert-Butyl 2-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methylamino]acetate
CAS 1428935-55-0C39H49N5O9S