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Murcko scaffold

Ring system with 4 rings and 29 atoms

21 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
21
With full pages
4
Scaffold SMILES

O=S(=O)(Nc1nc(-c2ncccn2)ncc1Oc1ccccc1)c1ccccc1

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=S(=O)(Nc1nc(-c2ncccn2)ncc1Oc1ccccc1)c1ccccc1

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 21 of 21 chemicals

Bosentan chemical structure, C27H29N5O6S, CAS 147536-97-8
Bosentan
CAS 147536-97-8C27H29N5O6S
Bosentan monohydrate chemical structure, C27H31N5O7S, CAS 157212-55-0
Bosentan monohydrate
CAS 157212-55-0C27H31N5O7S
Hydroxybosentan chemical structure, C27H29N5O7S, CAS 253688-60-7
Hydroxybosentan
CAS 253688-60-7C27H29N5O7S
Desmethyl bosentan chemical structure, C26H27N5O6S, CAS 253688-61-8
Desmethyl bosentan
CAS 253688-61-8C26H27N5O6S
Hydroxy desmethyl bosentan chemical structure, C26H27N5O7S, CAS 253688-62-9
Hydroxy desmethyl bosentan
CAS 253688-62-9C26H27N5O7S
4-tert-Butyl-N-(6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide chemical structure, C25H24ClN5O4S, CAS 150727-06-3
4-tert-Butyl-N-(6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide
CAS 150727-06-3C25H24ClN5O4S
Bosentan impurity 02 chemical structure, C28H29N5O7S, CAS 301646-61-7
Bosentan impurity 02
CAS 301646-61-7C28H29N5O7S
4-tert-Butyl-N-[5-(2-methoxyphenoxy)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide chemical structure, C31H37N5O6S, CAS 301646-60-6
4-tert-Butyl-N-[5-(2-methoxyphenoxy)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
CAS 301646-60-6C31H37N5O6S
Bosentan impurity 3 chemical structure, C27H29N5O5S, CAS 157415-45-7
Bosentan impurity 3
CAS 157415-45-7C27H29N5O5S
Bosentan-d4 chemical structure, C27H29N5O6S, CAS 1065472-77-6
Bosentan-d4
CAS 1065472-77-6C27H29N5O6S
Benzenesulfonamide, N-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)-, potassium salt (1:1) chemical structure, C25H23ClKN5O4S, CAS 301646-59-3
Benzenesulfonamide, N-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)-, potassium salt (1:1)
CAS 301646-59-3C25H23ClKN5O4S
Bosentan sodium chemical structure, C27H28N5NaO6S, CAS 150726-52-6
Bosentan sodium
CAS 150726-52-6C27H28N5NaO6S
4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide hydrochloride chemical structure, C27H30ClN5O6S, CAS 1196074-08-4
4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide hydrochloride
CAS 1196074-08-4C27H30ClN5O6S
Bosentan impurity 15 chemical structure, C29H33N5O7S, CAS 1257099-43-6
Bosentan impurity 15
CAS 1257099-43-6C29H33N5O7S
4-(1,1-Dimethylethyl)-N-[6-(ethenyloxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-benzenesulfonamide chemical structure, C27H27N5O5S, CAS 1257099-44-7
4-(1,1-Dimethylethyl)-N-[6-(ethenyloxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-benzenesulfonamide
CAS 1257099-44-7C27H27N5O5S
4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-chloro-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl]benzenesulfonamide chemical structure, C25H24ClN5O5S, CAS 1076198-22-5
4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-chloro-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl]benzenesulfonamide
CAS 1076198-22-5C25H24ClN5O5S
Hydroxy bosentan-d4 chemical structure, C27H29N5O7S, CAS 1065472-91-4
Hydroxy bosentan-d4
CAS 1065472-91-4C27H29N5O7S
Hydroxy bosentan-d6 chemical structure, C27H29N5O7S, CAS 1246817-57-1
Hydroxy bosentan-d6
CAS 1246817-57-1C27H29N5O7S
4-(1,1-Dimethylethyl)-N-[5-(2-ethoxyphenoxy)-6-(2-hydroxyethoxy)[2,2a(2)-bipyrimidin]-4-yl]benzenesulfonamide chemical structure, C28H31N5O6S, CAS 174227-21-5
4-(1,1-Dimethylethyl)-N-[5-(2-ethoxyphenoxy)-6-(2-hydroxyethoxy)[2,2a(2)-bipyrimidin]-4-yl]benzenesulfonamide
CAS 174227-21-5C28H31N5O6S
Desmethyl bosentan-d4 chemical structure, C26H27N5O6S, CAS 2748567-59-9
Desmethyl bosentan-d4
CAS 2748567-59-9C26H27N5O6S
2-[6-[(4-tert-Butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl acetate chemical structure, C29H31N5O7S, CAS 1160515-53-6
2-[6-[(4-tert-Butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl acetate
CAS 1160515-53-6C29H31N5O7S