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Murcko scaffold

Ring system with 3 rings and 20 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
7
With full pages
3
Scaffold SMILES

O=C(Nc1ccccc1)Nc1ccnc2ccccc12

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=C(Nc1ccccc1)Nc1ccnc2ccccc12

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

1-[5-(Diethylamino)pentan-2-yl]-3-(4-ethoxyphenyl)-1-quinolin-4-ylurea chemical structure, C27H36N4O2, CAS 6313-31-1
1-[5-(Diethylamino)pentan-2-yl]-3-(4-ethoxyphenyl)-1-quinolin-4-ylurea
CAS 6313-31-1C27H36N4O2
Urea, N-(7-chloro-4-quinolinyl)-N'-(3,4,5-trimethoxyphenyl)- chemical structure, C19H18ClN3O4, CAS 68061-19-8
Urea, N-(7-chloro-4-quinolinyl)-N'-(3,4,5-trimethoxyphenyl)-
CAS 68061-19-8C19H18ClN3O4
SB-408124 chemical structure, C19H18F2N4O, CAS 288150-92-5
SB-408124
CAS 288150-92-5C19H18F2N4O
PQ-401 chemical structure, C18H16ClN3O2, CAS 196868-63-0
PQ-401
CAS 196868-63-0C18H16ClN3O2
SB-410220 chemical structure, C18H16F2N4O, CAS 681001-18-3
SB-410220
CAS 681001-18-3C18H16F2N4O
Ethyl 3-[[[(2-methyl-4-quinolinyl)amino]carbonyl]amino]benzoate chemical structure, C20H19N3O3, CAS 158727-30-1
Ethyl 3-[[[(2-methyl-4-quinolinyl)amino]carbonyl]amino]benzoate
CAS 158727-30-1C20H19N3O3
SB-408124 Hydrochloride chemical structure, C19H19ClF2N4O, CAS 1431697-90-3
SB-408124 Hydrochloride
CAS 1431697-90-3C19H19ClF2N4O