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Murcko scaffold

Ring system with 7 rings and 36 atoms

8 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
36
Chemicals
8
With full pages
2
Scaffold SMILES

O=C(Cn1ncc2c1CC1CC21)NC(Cc1ccccc1)c1ncccc1-c1cccc2cn[nH]c12

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(Cn1ncc2c1CC1CC21)NC(Cc1ccccc1)c1ncccc1-c1cccc2cn[nH]c12

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

Lenacapavir chemical structure, C39H32ClF10N7O5S2, CAS 2189684-44-2
Lenacapavir
CAS 2189684-44-2C39H32ClF10N7O5S2
Mesyl lenacapavir chemical structure, C40H34ClF10N7O7S3, CAS 2189684-58-8
Mesyl lenacapavir
CAS 2189684-58-8C40H34ClF10N7O7S3
N-Desmethylsulfonyl lenacapavir chemical structure, C38H30ClF10N7O3S, CAS 2375020-20-3
N-Desmethylsulfonyl lenacapavir
CAS 2375020-20-3C38H30ClF10N7O3S
N-((S)-1-(3-(4-Chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide chemical structure, C38H33ClF7N7O5S2, CAS 2375019-65-9
N-((S)-1-(3-(4-Chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide
CAS 2375019-65-9C38H33ClF7N7O5S2
N-[1-[3-[4-Chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)acetamide chemical structure, C38H33ClF7N7O5S2
N-[1-[3-[4-Chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)acetamide
C38H33ClF7N7O5S2
Lenacapavir sodium chemical structure, C39H31ClF10N7NaO5S2, CAS 2283356-12-5
Lenacapavir sodium
CAS 2283356-12-5C39H31ClF10N7NaO5S2
Deschloro lenacapavir chemical structure, C39H33F10N7O5S2, CAS 3025145-47-2
Deschloro lenacapavir
CAS 3025145-47-2C39H33F10N7O5S2
Hydroxy desmethylsulfonyl lenacapavir chemical structure, C38H30ClF10N7O4S, CAS 3025145-44-9
Hydroxy desmethylsulfonyl lenacapavir
CAS 3025145-44-9C38H30ClF10N7O4S