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Murcko scaffold

1-Phenyl-1,4-diazepane scaffold

258 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
258
With full pages
26
Scaffold SMILES

c1ccc(N2CCCNCC2)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-Phenyl-1,4-diazepane page
Murcko scaffold c1ccc(N2CCCNCC2)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 258 chemicals

1-(2-Chloro-4-nitrophenyl)-1,4-diazepane chemical structure, C11H14ClN3O2, CAS 220220-19-9
1-(2-Chloro-4-nitrophenyl)-1,4-diazepane
CAS 220220-19-9C11H14ClN3O2
1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane chemical structure, C12H17N3O4S, CAS 849035-89-8
1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane
CAS 849035-89-8C12H17N3O4S
1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-1,4-diazepane chemical structure, C12H13F3N4O4, CAS 341967-79-1
1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-1,4-diazepane
CAS 341967-79-1C12H13F3N4O4
tert-Butyl 4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylate chemical structure, C17H22F3N3O4, CAS 306934-72-5
tert-Butyl 4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylate
CAS 306934-72-5C17H22F3N3O4
1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane chemical structure, C12H14F3N3O2, CAS 646455-48-3
1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane
CAS 646455-48-3C12H14F3N3O2
1-(2-Fluoro-4-(methylsulfonyl)phenyl)-1,4-diazepane chemical structure, C12H17FN2O2S, CAS 849924-88-5
1-(2-Fluoro-4-(methylsulfonyl)phenyl)-1,4-diazepane
CAS 849924-88-5C12H17FN2O2S
1-(2-Nitrophenyl)-1,4-diazepane hydrochloride chemical structure, C11H16ClN3O2, CAS 299425-72-2
1-(2-Nitrophenyl)-1,4-diazepane hydrochloride
CAS 299425-72-2C11H16ClN3O2
1-(2-Nitrophenyl)-1,4-diazepane chemical structure, C11H15N3O2, CAS 450352-64-4
1-(2-Nitrophenyl)-1,4-diazepane
CAS 450352-64-4C11H15N3O2
1-(4-Chloro-2-nitrophenyl)-1,4-diazepane chemical structure, C11H14ClN3O2, CAS 443923-21-5
1-(4-Chloro-2-nitrophenyl)-1,4-diazepane
CAS 443923-21-5C11H14ClN3O2
1-Methyl-4-(4-nitrophenyl)-1,4-diazepane chemical structure, C12H17N3O2, CAS 223786-22-9
1-Methyl-4-(4-nitrophenyl)-1,4-diazepane
CAS 223786-22-9C12H17N3O2
1-[4-(Methylsulfonyl)phenyl]-1,4-diazepane chemical structure, C12H18N2O2S, CAS 474710-15-1
1-[4-(Methylsulfonyl)phenyl]-1,4-diazepane
CAS 474710-15-1C12H18N2O2S
1-(4-Nitrophenyl)-1,4-diazepane chemical structure, C11H15N3O2, CAS 214124-83-1
1-(4-Nitrophenyl)-1,4-diazepane
CAS 214124-83-1C11H15N3O2
4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide chemical structure, C16H21F3N4O2S, CAS 900019-59-2
4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide
CAS 900019-59-2C16H21F3N4O2S
2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid chemical structure, C14H22N2O3S, CAS 133804-52-1
2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid
CAS 133804-52-1C14H22N2O3S
1-Phenyl-1,4-diazepane chemical structure, C11H16N2, CAS 61903-27-3
1-Phenyl-1,4-diazepane
CAS 61903-27-3C11H16N2
4-(4-Methyl-1,4-diazepan-1-yl)aniline chemical structure, C12H19N3, CAS 219132-82-8
4-(4-Methyl-1,4-diazepan-1-yl)aniline
CAS 219132-82-8C12H19N3
1-(3-Methyl-4-nitrophenyl)-[1,4]diazepane chemical structure, C12H17N3O2, CAS 220220-20-2
1-(3-Methyl-4-nitrophenyl)-[1,4]diazepane
CAS 220220-20-2C12H17N3O2
4-(1,4-Diazepan-1-yl)aniline chemical structure, C11H17N3, CAS 497249-51-1
4-(1,4-Diazepan-1-yl)aniline
CAS 497249-51-1C11H17N3
4-(4-Aminophenyl)hexahydro-1H-1,4-diazepine-1-ethanol chemical structure, C13H21N3O, CAS 497249-53-3
4-(4-Aminophenyl)hexahydro-1H-1,4-diazepine-1-ethanol
CAS 497249-53-3C13H21N3O
1-(2-Methoxyphenyl)-1,4-diazepane chemical structure, C12H18N2O, CAS 152943-97-0
1-(2-Methoxyphenyl)-1,4-diazepane
CAS 152943-97-0C12H18N2O
1-[3-(Trifluoromethyl)phenyl]-1,4-diazepane chemical structure, C12H15F3N2, CAS 74418-15-8
1-[3-(Trifluoromethyl)phenyl]-1,4-diazepane
CAS 74418-15-8C12H15F3N2
4-(4-Boc-1,4-diazepan-1-yl)benzoic acid chemical structure, C17H24N2O4, CAS 303134-14-7
4-(4-Boc-1,4-diazepan-1-yl)benzoic acid
CAS 303134-14-7C17H24N2O4
1-(4-Methoxyphenyl)-1,4-diazepane chemical structure, C12H18N2O, CAS 868063-60-9
1-(4-Methoxyphenyl)-1,4-diazepane
CAS 868063-60-9C12H18N2O
tert-Butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate chemical structure, C16H23ClN2O2, CAS 868063-71-2
tert-Butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate
CAS 868063-71-2C16H23ClN2O2