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Murcko scaffold

Ring system with 2 rings and 12 atoms

5 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
12
Chemicals
5
With full pages
0
Scaffold SMILES

C1=C(c2ccccc2)CCCN1

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 C1=C(c2ccccc2)CCCN1

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

tert-Butyl 5-(3-amino-4-nitrophenyl)-3,4-dihydropyridine-1(2H)-carboxylate chemical structure, C16H21N3O4, CAS 1271808-81-1
tert-Butyl 5-(3-amino-4-nitrophenyl)-3,4-dihydropyridine-1(2H)-carboxylate
CAS 1271808-81-1C16H21N3O4
1-(tert-Butyl) 2-methyl 3-(4-methoxy-3,5-dimethylphenyl)-5,6-dihydro-1,2(4H)-pyridinedicarboxylate chemical structure, C21H29NO5, CAS 2206265-09-8
1-(tert-Butyl) 2-methyl 3-(4-methoxy-3,5-dimethylphenyl)-5,6-dihydro-1,2(4H)-pyridinedicarboxylate
CAS 2206265-09-8C21H29NO5
tert-Butyl 5-(3-(2-methoxy-2-oxoethyl)phenyl)-3,4-dihydropyridine-1(2H)-carboxylate chemical structure, C19H25NO4, CAS 960304-91-0
tert-Butyl 5-(3-(2-methoxy-2-oxoethyl)phenyl)-3,4-dihydropyridine-1(2H)-carboxylate
CAS 960304-91-0C19H25NO4
(R)-1-(2,2-Diethoxyethyl)-5-phenyl-2-vinyl-1,2,3,4-tetrahydropyridine chemical structure, C19H27NO2, CAS 2841658-97-5
(R)-1-(2,2-Diethoxyethyl)-5-phenyl-2-vinyl-1,2,3,4-tetrahydropyridine
CAS 2841658-97-5C19H27NO2
Niraparib impurity 61 chemical structure, C16H22N2O2, CAS 3112957-16-8
Niraparib impurity 61
CAS 3112957-16-8C16H22N2O2