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Murcko scaffold

Ring system with 4 rings and 25 atoms

8 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
8
With full pages
1
Scaffold SMILES

c1cnc2c(CCNc3cc(-c4cncnc4)ncn3)cccc2c1

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 c1cnc2c(CCNc3cc(-c4cncnc4)ncn3)cccc2c1

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 8 of 8 chemicals

None-deuterium-VX-984 chemical structure, C23H23N7O, CAS 1476071-49-4
None-deuterium-VX-984
CAS 1476071-49-4C23H23N7O
VX-984 chemical structure, C23H23N7O, CAS 1476074-39-1
VX-984
CAS 1476074-39-1C23H23N7O
N-Methyl-8-[(1S)-1-methyl-2-[[2a(2)-(1-methylethyl)[4,5a(2)-bipyrimidin]-6-yl]amino]ethyl]-4-quinolinecarboxamide chemical structure, C25H27N7O, CAS 1476074-44-8
N-Methyl-8-[(1S)-1-methyl-2-[[2a(2)-(1-methylethyl)[4,5a(2)-bipyrimidin]-6-yl]amino]ethyl]-4-quinolinecarboxamide
CAS 1476074-44-8C25H27N7O
8-[(1S)-1-Methyl-2-[(2'-methyl[4,5'-bipyrimidin]-6-yl)amino]ethyl]-4-quinolinecarboxamide chemical structure, C22H21N7O, CAS 1476072-30-6
8-[(1S)-1-Methyl-2-[(2'-methyl[4,5'-bipyrimidin]-6-yl)amino]ethyl]-4-quinolinecarboxamide
CAS 1476072-30-6C22H21N7O
8-[(2S)-1-[[6-(4,6-Dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide chemical structure, C22H21N7O, CAS 1562396-65-9
8-[(2S)-1-[[6-(4,6-Dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CAS 1562396-65-9C22H21N7O
(R)-VX-984 chemical structure, C23H23N7O, CAS 2448475-19-0
(R)-VX-984
CAS 2448475-19-0C23H23N7O
8-[1-[[6-(2-Methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide chemical structure, C22H21N7O
8-[1-[[6-(2-Methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
C22H21N7O
8-[1-[[6-(4,6-Dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide chemical structure, C22H21N7O
8-[1-[[6-(4,6-Dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
C22H21N7O