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Murcko scaffold

Ring system with 7 rings and 20 atoms

24 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
20
Chemicals
24
With full pages
9
Scaffold SMILES

c1cc2c3c(c1)OC1C4CCC5(CC4)C(C2)NCCC315

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 c1cc2c3c(c1)OC1C4CCC5(CC4)C(C2)NCCC315

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 24 of 24 chemicals

1-[(5alpha,7alpha)-4,5-Epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone chemical structure, C23H29NO4, CAS 16196-82-0
1-[(5alpha,7alpha)-4,5-Epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone
CAS 16196-82-0C23H29NO4
Dihydroetorphine chemical structure, C25H35NO4, CAS 14357-76-7
Dihydroetorphine
CAS 14357-76-7C25H35NO4
Norbuprenorphine chemical structure, C25H35NO4, CAS 78715-23-8
Norbuprenorphine
CAS 78715-23-8C25H35NO4
N-(3-Fluoropropyl)-N-norbuprenorphine chemical structure, C28H40FNO4, CAS 128837-83-2
N-(3-Fluoropropyl)-N-norbuprenorphine
CAS 128837-83-2C28H40FNO4
b-Dihydrothevinone chemical structure, C23H29NO4, CAS 16196-83-1
b-Dihydrothevinone
CAS 16196-83-1C23H29NO4
(5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-6,14-ethenomorphinan-7-methanol chemical structure, C25H35NO4, CAS 85080-83-7
(5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-6,14-ethenomorphinan-7-methanol
CAS 85080-83-7C25H35NO4
1-[(5a,7b)-4,5-Epoxy-18,19-dihydro-3,6-dimethoxy-6,14-ethenomorphinan-7-yl]-ethanone chemical structure, C22H27NO4, CAS 162062-77-3
1-[(5a,7b)-4,5-Epoxy-18,19-dihydro-3,6-dimethoxy-6,14-ethenomorphinan-7-yl]-ethanone
CAS 162062-77-3C22H27NO4
(5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol chemical structure, C27H39NO4, CAS 85080-82-6
(5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol
CAS 85080-82-6C27H39NO4
(AlphaS,5alpha,7alpha)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol chemical structure, C27H39NO4, CAS 16196-70-6
(AlphaS,5alpha,7alpha)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol
CAS 16196-70-6C27H39NO4
(5alpha,7alpha)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile chemical structure, C27H36N2O4, CAS 16614-60-1
(5alpha,7alpha)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile
CAS 16614-60-1C27H36N2O4
N-(3-Fluoropropyl)-N-nordiprenorphine chemical structure, C25H34FNO4, CAS 125828-20-8
N-(3-Fluoropropyl)-N-nordiprenorphine
CAS 125828-20-8C25H34FNO4
2-((1S,2S,6R,14R,15R,16R)-11,15-Dimethoxy-13-oxa-5-azahexacyclo(13.2.2.12,8.01,6.02,14.012,20)icosa-8(20),9,11-trien-16-yl)-3,3-dimethylbutan-2-ol chemical structure, C26H37NO4, CAS 16614-59-8
2-((1S,2S,6R,14R,15R,16R)-11,15-Dimethoxy-13-oxa-5-azahexacyclo(13.2.2.12,8.01,6.02,14.012,20)icosa-8(20),9,11-trien-16-yl)-3,3-dimethylbutan-2-ol
CAS 16614-59-8C26H37NO4
N-(3-Butenyl)norbuprenorphine chemical structure, C29H41NO4, CAS 457071-73-7
N-(3-Butenyl)norbuprenorphine
CAS 457071-73-7C29H41NO4
RefChem:393972 chemical structure, C25H35NO4, CAS 1309388-84-8
RefChem:393972
CAS 1309388-84-8C25H35NO4
6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, hydrochloride (1:1), (alphaR,5alpha,7alpha)- chemical structure, C25H36ClNO4, CAS 155536-45-1
6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, hydrochloride (1:1), (alphaR,5alpha,7alpha)-
CAS 155536-45-1C25H36ClNO4
Buprenorphine-d3 chemical structure, C25H35NO4, CAS 350482-19-8
Buprenorphine-d3
CAS 350482-19-8C25H35NO4
N-Methylnorbuprenorphine chemical structure, C26H37NO4, CAS 228550-34-3
N-Methylnorbuprenorphine
CAS 228550-34-3C26H37NO4
N-(3-N-Butyl)norbuprenorphine chemical structure, C29H43NO4, CAS 90387-35-2
N-(3-N-Butyl)norbuprenorphine
CAS 90387-35-2C29H43NO4
2-[(18R)-6-Methoxy-17-methyl-5beta,6beta,14beta-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]propan-2-ol chemical structure, C23H31NO3, CAS 26626-28-8
2-[(18R)-6-Methoxy-17-methyl-5beta,6beta,14beta-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]propan-2-ol
CAS 26626-28-8C23H31NO3
Ethanone, 1-[(5alpha,7alpha)-3-[(ethoxycarbonyl)oxy]-4,5-epoxy-18,19-dihydro-6-methoxy-17-methyl-6,14-ethenomorphinan-7-yl]- chemical structure, C25H31NO6, CAS 1370351-52-2
Ethanone, 1-[(5alpha,7alpha)-3-[(ethoxycarbonyl)oxy]-4,5-epoxy-18,19-dihydro-6-methoxy-17-methyl-6,14-ethenomorphinan-7-yl]-
CAS 1370351-52-2C25H31NO6
Norbuprenorphine hydrochloride chemical structure, C25H36ClNO4, CAS 209963-02-0
Norbuprenorphine hydrochloride
CAS 209963-02-0C25H36ClNO4
N-Cyanonorbuprenorphine chemical structure, C26H34N2O4, CAS 799773-67-4
N-Cyanonorbuprenorphine
CAS 799773-67-4C26H34N2O4
N-Cyano-3-[(ethoxycarbonyl)oxy]-norbuprenorphine chemical structure, C29H38N2O6, CAS 1465923-74-3
N-Cyano-3-[(ethoxycarbonyl)oxy]-norbuprenorphine
CAS 1465923-74-3C29H38N2O6
Opioid receptor antagonist 1 chemical structure, C24H29ClF3NO4, CAS 1559075-15-8
Opioid receptor antagonist 1
CAS 1559075-15-8C24H29ClF3NO4