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Murcko scaffold

Ring system with 5 rings and 32 atoms

23 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
23
With full pages
4
Scaffold SMILES

c1ccc(Nc2ncnc(Nc3ccc(N=Nc4ccc5ccccc5c4)cc3)n2)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 c1ccc(Nc2ncnc(Nc3ccc(N=Nc4ccc5ccccc5c4)cc3)n2)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 23 of 23 chemicals

1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, trisodium salt chemical structure, C27H19FN9Na3O10S3, CAS 63817-39-0
1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, trisodium salt
CAS 63817-39-0C27H19FN9Na3O10S3
Reactive yellow 145 chemical structure, C28H20ClN9Na4O16S5, CAS 93050-80-7
Reactive yellow 145
CAS 93050-80-7C28H20ClN9Na4O16S5
Reactive Yellow MERL chemical structure, C28H24ClN9O16S5, CAS 86293-57-4
Reactive Yellow MERL
CAS 86293-57-4C28H24ClN9O16S5
Trisodium 3-((4-((4-chloro-6-(phenyl(sulphonatomethyl)amino)-1,3,5-triazin-2-yl)amino)-5-methoxy-o-tolyl)azo)naphthalene-1,5-disulphonate chemical structure, C28H21ClN7Na3O10S3, CAS 25904-59-0
Trisodium 3-((4-((4-chloro-6-(phenyl(sulphonatomethyl)amino)-1,3,5-triazin-2-yl)amino)-5-methoxy-o-tolyl)azo)naphthalene-1,5-disulphonate
CAS 25904-59-0C28H21ClN7Na3O10S3
Trisodium 3-((2-(acetylamino)-4-((4-chloro-6-((4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,5-disulphonate chemical structure, C27H18ClN8Na3O10S3, CAS 94042-74-7
Trisodium 3-((2-(acetylamino)-4-((4-chloro-6-((4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,5-disulphonate
CAS 94042-74-7C27H18ClN8Na3O10S3
Tetrasodium 7-((2-(carbamoylamino)-4-((4-fluoro-6-(4-((2-(sulfonatooxy)ethyl)sulfonyl)anilino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)naphthalene-1,3,6-trisulfonate chemical structure, C28H20FN9Na4O16S5, CAS 888706-72-7
Tetrasodium 7-((2-(carbamoylamino)-4-((4-fluoro-6-(4-((2-(sulfonatooxy)ethyl)sulfonyl)anilino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)naphthalene-1,3,6-trisulfonate
CAS 888706-72-7C28H20FN9Na4O16S5
7-((2-(Carbamoylamino)-4-((4-fluoro-6-(4-((2-(sulfooxy)ethyl)sulfonyl)anilino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)naphthalene-1,3,6-trisulfonic acid chemical structure, C28H24FN9O16S5, CAS 73570-58-8
7-((2-(Carbamoylamino)-4-((4-fluoro-6-(4-((2-(sulfooxy)ethyl)sulfonyl)anilino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)naphthalene-1,3,6-trisulfonic acid
CAS 73570-58-8C28H24FN9O16S5
RefChem:72383 chemical structure, C28H20ClK4N9O16S5, CAS 73612-28-9
RefChem:72383
CAS 73612-28-9C28H20ClK4N9O16S5
RefChem:412758 chemical structure, C28H19ClN9Na3O12S4, CAS 94158-80-2
RefChem:412758
CAS 94158-80-2C28H19ClN9Na3O12S4
RefChem:73531 chemical structure, C29H22ClN8Na3O13S4, CAS 215612-56-9
RefChem:73531
CAS 215612-56-9C29H22ClN8Na3O13S4
RefChem:412756 chemical structure, C28H24ClN9Na4O16S5+4, CAS 80156-97-4
RefChem:412756
CAS 80156-97-4C28H24ClN9Na4O16S5+4
7-[2-[2-[(Aminocarbonyl)amino]-4-[[4-chloro-6-[[3-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonic acid chemical structure, C28H22ClN9O12S4, CAS 118739-29-0
7-[2-[2-[(Aminocarbonyl)amino]-4-[[4-chloro-6-[[3-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonic acid
CAS 118739-29-0C28H22ClN9O12S4
RefChem:412754 chemical structure, C29H25N11NaO16S5+, CAS 1078719-08-0
RefChem:412754
CAS 1078719-08-0C29H25N11NaO16S5+
1,4-Benzenedisulfonic acid, 2-((4-chloro-6-((4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4) chemical structure, C25H14ClN7Na4O13S4, CAS 73309-43-0
1,4-Benzenedisulfonic acid, 2-((4-chloro-6-((4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4)
CAS 73309-43-0C25H14ClN7Na4O13S4
Trisodium 7-{[2-(carbamoylamino)-4-({4-chloro-6-[3-(ethenesulfonyl)anilino]-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}naphthalene-1,3,6-trisulfonate chemical structure, C28H19ClN9Na3O12S4, CAS 184889-95-0
Trisodium 7-{[2-(carbamoylamino)-4-({4-chloro-6-[3-(ethenesulfonyl)anilino]-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}naphthalene-1,3,6-trisulfonate
CAS 184889-95-0C28H19ClN9Na3O12S4
7-[[2-(Carbamoylamino)-4-[[4-chloro-6-[4-(2-methoxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid chemical structure, C29H26ClN9O13S4, CAS 1131598-71-4
7-[[2-(Carbamoylamino)-4-[[4-chloro-6-[4-(2-methoxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
CAS 1131598-71-4C29H26ClN9O13S4
3-[2-[2-(Acetylamino)-4-[[4-[(2-amino-3-methylphenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-5-methoxyphenyl]diazenyl]-1,5-naphthalenedisulfonic acid chemical structure, C29H26ClN9O8S2, CAS 1170724-33-0
3-[2-[2-(Acetylamino)-4-[[4-[(2-amino-3-methylphenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-5-methoxyphenyl]diazenyl]-1,5-naphthalenedisulfonic acid
CAS 1170724-33-0C29H26ClN9O8S2
3-[2-[2-(Acetylamino)-4-[[4-[(2-amino-4-methylphenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-5-methoxyphenyl]diazenyl]-1,5-naphthalenedisulfonic acid chemical structure, C29H26ClN9O8S2, CAS 1184961-40-7
3-[2-[2-(Acetylamino)-4-[[4-[(2-amino-4-methylphenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-5-methoxyphenyl]diazenyl]-1,5-naphthalenedisulfonic acid
CAS 1184961-40-7C29H26ClN9O8S2
Tetrasodium, 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfonatoethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate chemical structure, C28H20ClN9Na4O15S5, CAS 944482-03-5
Tetrasodium, 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfonatoethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
CAS 944482-03-5C28H20ClN9Na4O15S5
Tetrasodium, 7-[[2-(carbamoylamino)-4-[[4-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate chemical structure, C28H21N9Na4O16S5, CAS 153583-96-1
Tetrasodium, 7-[[2-(carbamoylamino)-4-[[4-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
CAS 153583-96-1C28H21N9Na4O16S5
Tetrasodium, 7-[[2-acetamido-4-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate chemical structure, C29H21ClN8Na4O16S5, CAS 1185314-19-5
Tetrasodium, 7-[[2-acetamido-4-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate
CAS 1185314-19-5C29H21ClN8Na4O16S5
2,7-Naphthalenedisulfonic acid, 6-amino-3-[2-[4-[[4-[[4-[2-(ethenylsulfonyl)ethyl]phenyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3) chemical structure, C29H22FN8Na3O12S4, CAS 1185260-55-2
2,7-Naphthalenedisulfonic acid, 6-amino-3-[2-[4-[[4-[[4-[2-(ethenylsulfonyl)ethyl]phenyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)
CAS 1185260-55-2C29H22FN8Na3O12S4
1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-[(2-sulfoethyl)amino]-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino] phenyl]azo]-, tetrasodium salt chemical structure, C31H27N9Na4O16S5, CAS 111353-79-8
1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-[(2-sulfoethyl)amino]-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino] phenyl]azo]-, tetrasodium salt
CAS 111353-79-8C31H27N9Na4O16S5