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Murcko scaffold

Ring system with 6 rings and 37 atoms

10 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
37
Chemicals
10
With full pages
4
Scaffold SMILES

O=C1c2ccccc2C(=O)c2c(Nc3cccc(Nc4ncnc(Nc5ccccc5)n4)c3)cccc21

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=C1c2ccccc2C(=O)c2c(Nc3cccc(Nc4ncnc(Nc5ccccc5)n4)c3)cccc21

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 10 of 10 chemicals

1-Amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid chemical structure, C29H20ClN7O11S3, CAS 16823-51-1
1-Amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
CAS 16823-51-1C29H20ClN7O11S3
Trisodium 1-amino-4-[3-[[4-chloro-6-(3-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate chemical structure, C29H17ClN7Na3O11S3, CAS 23422-12-0
Trisodium 1-amino-4-[3-[[4-chloro-6-(3-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
CAS 23422-12-0C29H17ClN7Na3O11S3
RefChem:85446 chemical structure, C32H23ClN7Na3O11S3, CAS 72214-18-7
RefChem:85446
CAS 72214-18-7C32H23ClN7Na3O11S3
RefChem:465268 chemical structure, C32H23ClN7Na3O11S3, CAS 12236-92-9
RefChem:465268
CAS 12236-92-9C32H23ClN7Na3O11S3
Reactive Blue 49 chemical structure, C32H26ClN7O11S3, CAS 105936-74-1
Reactive Blue 49
CAS 105936-74-1C32H26ClN7O11S3
RefChem:85443 chemical structure, C30H19ClN7Na3O11S3, CAS 72829-24-4
RefChem:85443
CAS 72829-24-4C30H19ClN7Na3O11S3
RefChem:85445 chemical structure, C32H23ClN7Na3O11S3, CAS 72927-93-6
RefChem:85445
CAS 72927-93-6C32H23ClN7Na3O11S3
RefChem:85444 chemical structure, C34H27ClKN7Na2O14S4, CAS 94157-80-9
RefChem:85444
CAS 94157-80-9C34H27ClKN7Na2O14S4
RefChem:465271 chemical structure, C34H27ClK3N7O14S4, CAS 75908-84-8
RefChem:465271
CAS 75908-84-8C34H27ClK3N7O14S4
Disodium, 1-amino-4-[3-[[4-chloro-6-[3-(2-ethenylsulfonylethylcarbamoyl)anilino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate chemical structure, C37H31ClN8Na2O11S3, CAS 323195-50-2
Disodium, 1-amino-4-[3-[[4-chloro-6-[3-(2-ethenylsulfonylethylcarbamoyl)anilino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
CAS 323195-50-2C37H31ClN8Na2O11S3