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Murcko scaffold

Ring system with 3 rings and 26 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
26
Chemicals
9
With full pages
2
Scaffold SMILES

O=C(C(Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCNCC1

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(C(Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCNCC1

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 9 of 9 chemicals

Upamostat chemical structure, C32H47N5O6S, CAS 1191101-18-4
Upamostat
CAS 1191101-18-4C32H47N5O6S
Wx-uk1 free base chemical structure, C32H47N5O5S, CAS 220355-63-5
Wx-uk1 free base
CAS 220355-63-5C32H47N5O5S
Ethyl 4-(3-carbamimidoyl-N-{[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}phenylalanyl)piperazine-1-carboxylate chemical structure, C32H47N5O5S, CAS 255374-90-4
Ethyl 4-(3-carbamimidoyl-N-{[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}phenylalanyl)piperazine-1-carboxylate
CAS 255374-90-4C32H47N5O5S
WX-UK1 chemical structure, C32H48ClN5O5S, CAS 255374-84-6
WX-UK1
CAS 255374-84-6C32H48ClN5O5S
Wx-671 chemical structure, C32H47N5O6S, CAS 590368-25-5
Wx-671
CAS 590368-25-5C32H47N5O6S
Bis(ethyl 4-[(2S)-3-[3-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate), sulfuric acid chemical structure, C64H96N10O16S3, CAS 798560-68-6
Bis(ethyl 4-[(2S)-3-[3-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate), sulfuric acid
CAS 798560-68-6C64H96N10O16S3
Bis(ethyl 4-[3-[3-[(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate), sulfuric acid chemical structure, C64H96N10O16S3
Bis(ethyl 4-[3-[3-[(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate), sulfuric acid
C64H96N10O16S3
Upamostat hydrogen sulfate chemical structure, C32H49N5O10S2, CAS 1191101-19-5
Upamostat hydrogen sulfate
CAS 1191101-19-5C32H49N5O10S2
Ethyl (R)-4-(3-(3-cyanophenyl)-2-((2,4,6-triisopropylphenyl)sulfonamido)propanoyl)piperazine-1-carboxylate chemical structure, C32H44N4O5S, CAS 255374-81-3
Ethyl (R)-4-(3-(3-cyanophenyl)-2-((2,4,6-triisopropylphenyl)sulfonamido)propanoyl)piperazine-1-carboxylate
CAS 255374-81-3C32H44N4O5S