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Murcko scaffold

1-H-Azepine, hexahydro-1-phenyl scaffold

127 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
127
With full pages
16
Scaffold SMILES

c1ccc(N2CCCCCC2)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 scaffoldOpen the 1-H-Azepine, hexahydro-1-phenyl page
Murcko scaffold c1ccc(N2CCCCCC2)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 48 of 127 chemicals

1H-Azepine, hexahydro-1-(4-nitrophenyl)- chemical structure, C12H16N2O2, CAS 13663-23-5
1H-Azepine, hexahydro-1-(4-nitrophenyl)-
CAS 13663-23-5C12H16N2O2
Benzenamine, 4-(hexahydro-1H-azepin-1-yl)- chemical structure, C12H18N2, CAS 57356-18-0
Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-
CAS 57356-18-0C12H18N2
Benzenediazonium, 4-(hexahydro-1H-azepin-1-yl)-, trichlorozincate(1-) (1:1) chemical structure, C12H16Cl3N3Zn, CAS 68025-48-9
Benzenediazonium, 4-(hexahydro-1H-azepin-1-yl)-, trichlorozincate(1-) (1:1)
CAS 68025-48-9C12H16Cl3N3Zn
Benzenediazonium, 4-(hexahydro-1H-azepin-1-yl)-, (T-4)-tetrachlorozincate(2-) (2:1) chemical structure, C24H32Cl4N6Zn, CAS 68155-74-8
Benzenediazonium, 4-(hexahydro-1H-azepin-1-yl)-, (T-4)-tetrachlorozincate(2-) (2:1)
CAS 68155-74-8C24H32Cl4N6Zn
1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- chemical structure, C16H24N2O4, CAS 68901-03-1
1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-
CAS 68901-03-1C16H24N2O4
1-H-Azepine, hexahydro-1-phenyl chemical structure, C12H17N, CAS 40832-99-3
1-H-Azepine, hexahydro-1-phenyl
CAS 40832-99-3C12H17N
1-(4-Azepan-1-YL-3-fluorophenyl)ethanone chemical structure, C14H18FNO, CAS 420826-76-2
1-(4-Azepan-1-YL-3-fluorophenyl)ethanone
CAS 420826-76-2C14H18FNO
4-(Azepan-1-yl)benzoic acid chemical structure, C13H17NO2, CAS 314248-55-0
4-(Azepan-1-yl)benzoic acid
CAS 314248-55-0C13H17NO2
4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid chemical structure, C16H22N2O3, CAS 694514-97-1
4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid
CAS 694514-97-1C16H22N2O3
N-(2-Azepan-1-yl-phenyl)-2-chloro-acetamide chemical structure, C14H19ClN2O, CAS 436087-22-8
N-(2-Azepan-1-yl-phenyl)-2-chloro-acetamide
CAS 436087-22-8C14H19ClN2O
N-[4-(Azepan-1-yl)phenyl]-2-chloroacetamide chemical structure, C14H19ClN2O, CAS 436087-23-9
N-[4-(Azepan-1-yl)phenyl]-2-chloroacetamide
CAS 436087-23-9C14H19ClN2O
3-Amino-4-(azepan-1-yl)benzoic acid chemical structure, C13H18N2O2, CAS 693805-72-0
3-Amino-4-(azepan-1-yl)benzoic acid
CAS 693805-72-0C13H18N2O2
2-(Azepan-1-yl)-5-chloroaniline chemical structure, C12H17ClN2, CAS 710301-04-5
2-(Azepan-1-yl)-5-chloroaniline
CAS 710301-04-5C12H17ClN2
1-[4-(Azepan-1-yl)phenyl]ethan-1-one chemical structure, C14H19NO, CAS 26586-40-3
1-[4-(Azepan-1-yl)phenyl]ethan-1-one
CAS 26586-40-3C14H19NO
4-(Azepan-1-yl)benzaldehyde chemical structure, C13H17NO, CAS 50333-45-4
4-(Azepan-1-yl)benzaldehyde
CAS 50333-45-4C13H17NO
1-(2-Nitrophenyl)azepane chemical structure, C12H16N2O2, CAS 40832-88-0
1-(2-Nitrophenyl)azepane
CAS 40832-88-0C12H16N2O2
2-(Azepan-1-yl)benzonitrile chemical structure, C13H16N2, CAS 72767-22-7
2-(Azepan-1-yl)benzonitrile
CAS 72767-22-7C13H16N2
1-(2-Bromo-4-nitrophenyl)azepane chemical structure, C12H15BrN2O2, CAS 477846-52-9
1-(2-Bromo-4-nitrophenyl)azepane
CAS 477846-52-9C12H15BrN2O2
1-[5-Chloro-2-nitro-4-(trifluoromethyl)phenyl]azepane chemical structure, C13H14ClF3N2O2, CAS 646456-34-0
1-[5-Chloro-2-nitro-4-(trifluoromethyl)phenyl]azepane
CAS 646456-34-0C13H14ClF3N2O2
1-(5-Chloro-2,4-dinitrophenyl)azepane chemical structure, C12H14ClN3O4, CAS 372977-09-8
1-(5-Chloro-2,4-dinitrophenyl)azepane
CAS 372977-09-8C12H14ClN3O4
1-(2-Fluoro-4-nitrophenyl)hexahydro-1H-azepine chemical structure, C12H15FN2O2, CAS 250371-80-3
1-(2-Fluoro-4-nitrophenyl)hexahydro-1H-azepine
CAS 250371-80-3C12H15FN2O2
1-(2-Fluoro-5-methyl-4-nitrophenyl)azepane chemical structure, C13H17FN2O2, CAS 309266-23-7
1-(2-Fluoro-5-methyl-4-nitrophenyl)azepane
CAS 309266-23-7C13H17FN2O2
4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile chemical structure, C14H14N4O2, CAS 274924-68-4
4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
CAS 274924-68-4C14H14N4O2
Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- chemical structure, C13H17N3O3, CAS 143675-94-9
Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-
CAS 143675-94-9C13H17N3O3