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Murcko scaffold

Ring system with 5 rings and 21 atoms

18 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
18
With full pages
3
Scaffold SMILES

O=C1C=CC2C(=C1)CCC1C2CCC2C1CC1OC=NC12

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=CC2C(=C1)CCC1C2CCC2C1CC1OC=NC12

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 18 of 18 chemicals

Deflazacort chemical structure, C25H31NO6, CAS 14484-47-0
Deflazacort
CAS 14484-47-0C25H31NO6
21-Desacetyldeflazacort chemical structure, C23H29NO5, CAS 13649-57-5
21-Desacetyldeflazacort
CAS 13649-57-5C23H29NO5
(16beta)-11beta-Hydroxy-2'-methyl-4'H-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione 21-(3-carboxypropionate) chemical structure, C27H33NO8, CAS 81201-81-2
(16beta)-11beta-Hydroxy-2'-methyl-4'H-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione 21-(3-carboxypropionate)
CAS 81201-81-2C27H33NO8
Fluazacort chemical structure, C25H30FNO6, CAS 19888-56-3
Fluazacort
CAS 19888-56-3C25H30FNO6
RefChem:403139 chemical structure, C23H29NO4, CAS 13649-88-2
RefChem:403139
CAS 13649-88-2C23H29NO4
6|A-hydroxy deflazacort chemical structure, C25H31NO7, CAS 1262053-48-4
6|A-hydroxy deflazacort
CAS 1262053-48-4C25H31NO7
6Beta-hydroxy-21-desacetyl deflazacort chemical structure, C23H29NO6, CAS 72099-45-7
6Beta-hydroxy-21-desacetyl deflazacort
CAS 72099-45-7C23H29NO6
6a-Hydroxy-21-desacetyl Deflazacort chemical structure, C23H29NO6
6a-Hydroxy-21-desacetyl Deflazacort
C23H29NO6
Deflazacort 6a-hydroxy-21-desacetyl chemical structure, C23H29NO6
Deflazacort 6a-hydroxy-21-desacetyl
C23H29NO6
Deflazacort-d3 chemical structure, C25H31NO6, CAS 2280940-17-0
Deflazacort-d3
CAS 2280940-17-0C25H31NO6
Deacetyldeflazacort chemical structure, C23H29NO5, CAS 2585198-73-6
Deacetyldeflazacort
CAS 2585198-73-6C23H29NO5
(1S,2R,9S,11S,12R,13R,19S)-11,19-Dihydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one chemical structure, C23H29NO6
(1S,2R,9S,11S,12R,13R,19S)-11,19-Dihydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
C23H29NO6
6alpha-Hydroxy-21-desacetyl Deflazacort chemical structure, C23H29NO6, CAS 87539-45-5
6alpha-Hydroxy-21-desacetyl Deflazacort
CAS 87539-45-5C23H29NO6
(1S,4R,8S,9S,11S,13R,19S)-11,19-Dihydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one chemical structure, C23H29NO6
(1S,4R,8S,9S,11S,13R,19S)-11,19-Dihydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
C23H29NO6
(1S,2S,4R,8S,9S,11S,12R,13S)-8-Acetyl-12-bromo-11-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one chemical structure, C23H28BrNO4, CAS 19888-63-2
(1S,2S,4R,8S,9S,11S,12R,13S)-8-Acetyl-12-bromo-11-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
CAS 19888-63-2C23H28BrNO4
(11b,16b)-11,21-Bis(acetyloxy)-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione(Deflazacort impurity) chemical structure, C27H33NO7, CAS 710951-92-1
(11b,16b)-11,21-Bis(acetyloxy)-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione(Deflazacort impurity)
CAS 710951-92-1C27H33NO7
Deflazacort impurity 8 chemical structure, C23H27NO5, CAS 3035569-86-6
Deflazacort impurity 8
CAS 3035569-86-6C23H27NO5
Deflazacort impurity 5 chemical structure, C23H28INO4, CAS 1425664-43-2
Deflazacort impurity 5
CAS 1425664-43-2C23H28INO4