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Murcko scaffold

Ring system with 6 rings and 22 atoms

41 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
22
Chemicals
41
With full pages
10
Scaffold SMILES

c1cc2c3c(c1)OC1CCCC4C(C2)N(CC2CC2)CCC314

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)OC1CCCC4C(C2)N(CC2CC2)CCC314

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 41 of 41 chemicals

beta-Funaltrexamine chemical structure, C25H30N2O6, CAS 72782-05-9
beta-Funaltrexamine
CAS 72782-05-9C25H30N2O6
beta-CNA chemical structure, C24H32Cl2N2O3, CAS 67025-94-9
beta-CNA
CAS 67025-94-9C24H32Cl2N2O3
6beta-Naltrexol chemical structure, C20H25NO4, CAS 49625-89-0
6beta-Naltrexol
CAS 49625-89-0C20H25NO4
6-Bromoacetamido-6-desoxynaltrexone chemical structure, C22H27BrN2O4, CAS 91409-49-3
6-Bromoacetamido-6-desoxynaltrexone
CAS 91409-49-3C22H27BrN2O4
3-Acetyl-6-deoxy-6-fluoronaltrexone chemical structure, C22H26FNO4, CAS 94696-53-4
3-Acetyl-6-deoxy-6-fluoronaltrexone
CAS 94696-53-4C22H26FNO4
beta-Naltrexamine chemical structure, C20H26N2O3, CAS 67025-97-2
beta-Naltrexamine
CAS 67025-97-2C20H26N2O3
N-Cyclopropylmethylnorazidomorphine chemical structure, C20H24N4O2, CAS 56337-94-1
N-Cyclopropylmethylnorazidomorphine
CAS 56337-94-1C20H24N4O2
2-Hydroxy-3-methoxy-6beta-naltrexol chemical structure, C21H27NO5, CAS 57355-35-8
2-Hydroxy-3-methoxy-6beta-naltrexol
CAS 57355-35-8C21H27NO5
Morphinan-3,14-diol, 6-azido-17-(cyclopropylmethyl)-4,5-epoxy-, (5-alpha,6-beta)- chemical structure, C20H24N4O3, CAS 61266-87-3
Morphinan-3,14-diol, 6-azido-17-(cyclopropylmethyl)-4,5-epoxy-, (5-alpha,6-beta)-
CAS 61266-87-3C20H24N4O3
6-(Bis(2-chloroethyl)amino)-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol--hydrogen chloride (1/2) chemical structure, C24H34Cl4N2O3, CAS 67025-98-3
6-(Bis(2-chloroethyl)amino)-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol--hydrogen chloride (1/2)
CAS 67025-98-3C24H34Cl4N2O3
6-Iodo-3,14-dihydroxy-17-(cyclopropylmethyl)-4,5-epoxymorphinan chemical structure, C20H24INO3, CAS 141392-30-5
6-Iodo-3,14-dihydroxy-17-(cyclopropylmethyl)-4,5-epoxymorphinan
CAS 141392-30-5C20H24INO3
2-Butanoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, monohydrochloride, (E)- chemical structure, C25H31ClN2O6
2-Butanoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, monohydrochloride, (E)-
C25H31ClN2O6
6-Deoxy-6-fluoronaltrexone chemical structure, C20H24FNO3, CAS 103223-57-0
6-Deoxy-6-fluoronaltrexone
CAS 103223-57-0C20H24FNO3
Naltrexol chemical structure, C20H25NO4, CAS 100678-48-6
Naltrexol
CAS 100678-48-6C20H25NO4
Methyl-6-alpha-Naltrexol chemical structure, C21H27NO4, CAS 116388-85-3
Methyl-6-alpha-Naltrexol
CAS 116388-85-3C21H27NO4
(5a,6a)-17-(Cyclopropylmethyl)-4,5-epoxy-6-(methylamino)-morphinan-3,14-diol chemical structure, C21H28N2O3, CAS 102919-85-7
(5a,6a)-17-(Cyclopropylmethyl)-4,5-epoxy-6-(methylamino)-morphinan-3,14-diol
CAS 102919-85-7C21H28N2O3
17-Cyclopropylmethyl-4,5alpha-epoxy-3,14beta-dihydroxy-6beta-methylaminomorphinan chemical structure, C21H28N2O3, CAS 102869-99-8
17-Cyclopropylmethyl-4,5alpha-epoxy-3,14beta-dihydroxy-6beta-methylaminomorphinan
CAS 102869-99-8C21H28N2O3
6a-Naltrexol chemical structure, C20H25NO4, CAS 20410-98-4
6a-Naltrexol
CAS 20410-98-4C20H25NO4
Methyl (E)-4-[[(4aS,7R,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate, hydrochloride chemical structure, C25H31ClN2O6
Methyl (E)-4-[[(4aS,7R,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate, hydrochloride
C25H31ClN2O6
N-Methylfunaltrexamine chemical structure, C25H30N2O6, CAS 83339-80-4
N-Methylfunaltrexamine
CAS 83339-80-4C25H30N2O6
Methyl-5a-naltrexol Bromide chemical structure, C21H28BrNO4, CAS 1067643-17-7
Methyl-5a-naltrexol Bromide
CAS 1067643-17-7C21H28BrNO4
Methyl-6b-naltrexol Bromide chemical structure, C21H28BrNO4, CAS 1067643-16-6
Methyl-6b-naltrexol Bromide
CAS 1067643-16-6C21H28BrNO4
betaFNA chemical structure, C25H31ClN2O6
betaFNA
C25H31ClN2O6
6alpha-Amino-17-(cyclopropylmethyl)-3,14-dihydroxy-5alpha-4,5-epoxymorphinan-6beta-carboximidamide chemical structure, C21H28N4O3, CAS 175552-20-2
6alpha-Amino-17-(cyclopropylmethyl)-3,14-dihydroxy-5alpha-4,5-epoxymorphinan-6beta-carboximidamide
CAS 175552-20-2C21H28N4O3