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Murcko scaffold

Ring system with 5 rings and 30 atoms

6 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
6
With full pages
2
Scaffold SMILES

O=C(Cn1cccn1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)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 O=C(Cn1cccn1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)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 6 of 6 chemicals

Oxathiapiprolin chemical structure, C24H22F5N5O2S, CAS 1003318-67-9
Oxathiapiprolin
CAS 1003318-67-9C24H22F5N5O2S
(R)-Oxathiapiprolin chemical structure, C24H22F5N5O2S, CAS 1003319-79-6
(R)-Oxathiapiprolin
CAS 1003319-79-6C24H22F5N5O2S
Fluoxapiprolin chemical structure, C25H24ClF4N5O5S2, CAS 1360819-11-9
Fluoxapiprolin
CAS 1360819-11-9C25H24ClF4N5O5S2
KA7Fnp7zjh chemical structure, C25H24ClF4N5O5S2, CAS 1703753-80-3
KA7Fnp7zjh
CAS 1703753-80-3C25H24ClF4N5O5S2
2-((5R)-3-(2-(1-((3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl)acetyl)piperidin-4-yl)-1,3-thiazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl)-3-chlorophenyl methanesulfonate chemical structure, C25H24ClF4N5O5S2, CAS 1703753-81-4
2-((5R)-3-(2-(1-((3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl)acetyl)piperidin-4-yl)-1,3-thiazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl)-3-chlorophenyl methanesulfonate
CAS 1703753-81-4C25H24ClF4N5O5S2
1-[4-[4-[5-(2,6-Difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-4-hydroxy-1-piperidinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone chemical structure, C24H22F5N5O3S, CAS 1151573-12-4
1-[4-[4-[5-(2,6-Difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-4-hydroxy-1-piperidinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
CAS 1151573-12-4C24H22F5N5O3S