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Murcko scaffold

Ring system with 5 rings and 34 atoms

20 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
34
Chemicals
20
With full pages
3
Scaffold SMILES

O=C1C(N=Nc2cccc(Nc3ncnc(Nc4ccccc4)n3)c2)C=NN1c1ccccc1

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=C1C(N=Nc2cccc(Nc3ncnc(Nc4ccccc4)n3)c2)C=NN1c1ccccc1

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 20 of 20 chemicals

RefChem:564394 chemical structure, C25H18Cl3N9O10S3, CAS 16893-48-4
RefChem:564394
CAS 16893-48-4C25H18Cl3N9O10S3
RefChem:79934 chemical structure, C25H15ClN9Na3O12S3, CAS 70865-25-7
RefChem:79934
CAS 70865-25-7C25H15ClN9Na3O12S3
RefChem:117931 chemical structure, C25H15Cl3N9Na3O10S3, CAS 72259-17-7
RefChem:117931
CAS 72259-17-7C25H15Cl3N9Na3O10S3
2,5-Dichloro-4-[4-[[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid chemical structure, C25H18Cl3N9O10S3, CAS 85409-62-7
2,5-Dichloro-4-[4-[[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
CAS 85409-62-7C25H18Cl3N9O10S3
Benzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, trisodium salt chemical structure, C26H17Cl3N9Na3O10S3, CAS 72829-26-6
Benzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, trisodium salt
CAS 72829-26-6C26H17Cl3N9Na3O10S3
4-[[5-[[4-(2-Carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid chemical structure, C26H18ClN9O14S3, CAS 62223-58-9
4-[[5-[[4-(2-Carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
CAS 62223-58-9C26H18ClN9O14S3
Trisodium 4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate chemical structure, C27H21ClN9Na3O13S4, CAS 84000-62-4
Trisodium 4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate
CAS 84000-62-4C27H21ClN9Na3O13S4
Tetrasodium 2-((4-chloro-6-((3-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate chemical structure, C26H14Cl3N9Na4O12S3, CAS 89923-42-2
Tetrasodium 2-((4-chloro-6-((3-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate
CAS 89923-42-2C26H14Cl3N9Na4O12S3
2-[[4-Chloro-6-[3-[[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfoanilino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid chemical structure, C26H18Cl3N9O12S3, CAS 93858-80-1
2-[[4-Chloro-6-[3-[[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfoanilino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid
CAS 93858-80-1C26H18Cl3N9O12S3
4-[[5-[[4-Chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid chemical structure, C25H18ClN9O12S3, CAS 93858-25-4
4-[[5-[[4-Chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
CAS 93858-25-4C25H18ClN9O12S3
RefChem:509595 chemical structure, C25H14ClN9Na4O12S3, CAS 93940-70-6
RefChem:509595
CAS 93940-70-6C25H14ClN9Na4O12S3
RefChem:897470 chemical structure, C25H16ClN9Na4O13S4, CAS 94042-73-6
RefChem:897470
CAS 94042-73-6C25H16ClN9Na4O13S4
RefChem:117823 chemical structure, C26H20Cl2N9NaO4S, CAS 70209-98-2
RefChem:117823
CAS 70209-98-2C26H20Cl2N9NaO4S
Sodium 4-((4-chloro-6-(methylanilino)-1,3,5-triazin-2-yl)amino)-2-((1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonate chemical structure, C26H20Cl2N9NaO4S, CAS 73384-78-8
Sodium 4-((4-chloro-6-(methylanilino)-1,3,5-triazin-2-yl)amino)-2-((1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonate
CAS 73384-78-8C26H20Cl2N9NaO4S
Trisodium hydrogen 2-((4-chloro-6-((3-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate chemical structure, C26H15Cl3N9Na3O12S3, CAS 93778-50-8
Trisodium hydrogen 2-((4-chloro-6-((3-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate
CAS 93778-50-8C26H15Cl3N9Na3O12S3
RefChem:439038 chemical structure, C27H18ClK4N9O15S4, CAS 111211-43-9
RefChem:439038
CAS 111211-43-9C27H18ClK4N9O15S4
Trisodium, 4-[[5-[[4-(2-carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid chemical structure, C26H18ClN9Na3O14S3+3, CAS 74051-79-9
Trisodium, 4-[[5-[[4-(2-carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
CAS 74051-79-9C26H18ClN9Na3O14S3+3
Reactive Yellow 2 chemical structure, C25H18Cl3N9NaO10S3, CAS 50662-99-2
Reactive Yellow 2
CAS 50662-99-2C25H18Cl3N9NaO10S3
1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:4) chemical structure, C27H18ClN9Na4O15S4, CAS 164578-02-3
1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:4)
CAS 164578-02-3C27H18ClN9Na4O15S4
Benzenesulfonic acid, 2,5-dichloro-4-[4-[2-[5-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2) chemical structure, C27H18Cl3N9Na2O9S3, CAS 627463-71-2
Benzenesulfonic acid, 2,5-dichloro-4-[4-[2-[5-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2)
CAS 627463-71-2C27H18Cl3N9Na2O9S3