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Murcko scaffold

Ring system with 6 rings and 32 atoms

39 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
32
Chemicals
39
With full pages
5
Scaffold SMILES

c1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc(C3CCCN3)[nH]2)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 scaffold
Murcko scaffold c1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc(C3CCCN3)[nH]2)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 39 of 39 chemicals

Daclatasvir impurity 44 chemical structure, C26H28N6, CAS 1009119-59-8
Daclatasvir impurity 44
CAS 1009119-59-8C26H28N6
Daclatasvir metabolite 4 chemical structure, C38H48N8O4, CAS 1007884-53-8
Daclatasvir metabolite 4
CAS 1007884-53-8C38H48N8O4
Bis(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate) chemical structure, C36H44N6O4, CAS 1007882-23-6
Bis(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate)
CAS 1007882-23-6C36H44N6O4
Daclatasvir RSSS Isomer chemical structure, C40H50N8O6, CAS 1417333-83-5
Daclatasvir RSSS Isomer
CAS 1417333-83-5C40H50N8O6
Daclatasvir SRSR Isomer chemical structure, C40H50N8O6, CAS 1417333-63-1
Daclatasvir SRSR Isomer
CAS 1417333-63-1C40H50N8O6
2-[(2S)-Pyrrolidin-2-yl]-5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-1H-imidazole chemical structure, C26H28N6, CAS 1007882-27-0
2-[(2S)-Pyrrolidin-2-yl]-5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-1H-imidazole
CAS 1007882-27-0C26H28N6
Daclatasvir dihydrochloride chemical structure, C40H52Cl2N8O6, CAS 1009119-65-6
Daclatasvir dihydrochloride
CAS 1009119-65-6C40H52Cl2N8O6
Daclatasvir chemical structure, C40H50N8O6, CAS 1009119-64-5
Daclatasvir
CAS 1009119-64-5C40H50N8O6
Di-tert-butyl (2s,2's)-2,2'-(4,4'-biphenyldiylbis(1H-imidazole-5,2-diyl))di(1-pyrrolidinecarboxylate) chemical structure, C36H44N6O4, CAS 2514710-26-8
Di-tert-butyl (2s,2's)-2,2'-(4,4'-biphenyldiylbis(1H-imidazole-5,2-diyl))di(1-pyrrolidinecarboxylate)
CAS 2514710-26-8C36H44N6O4
Daclatasvir impurity 21 chemical structure, C40H49ClN8O6, CAS 1312335-97-9
Daclatasvir impurity 21
CAS 1312335-97-9C40H49ClN8O6
Daclatasvir impurity 20 chemical structure, C40H48Cl2N8O6, CAS 1312335-98-0
Daclatasvir impurity 20
CAS 1312335-98-0C40H48Cl2N8O6
Daclatasvir SRRS Isomer chemical structure, C40H50N8O6
Daclatasvir SRRS Isomer
C40H50N8O6
Daclatasvir metabolite 7 chemical structure, C40H50N8O7, CAS 1416037-82-5
Daclatasvir metabolite 7
CAS 1416037-82-5C40H50N8O7
Methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate chemical structure, C40H50N8O6
Methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
C40H50N8O6
Daclatasvir metabolite 2 chemical structure, C40H50N8O7, CAS 1009118-12-0
Daclatasvir metabolite 2
CAS 1009118-12-0C40H50N8O7
Daclatasvir RSSR Isomer chemical structure, C40H50N8O6
Daclatasvir RSSR Isomer
C40H50N8O6
Monodes(N-carboxymethyl)valine Daclatasvir chemical structure, C33H39N7O3, CAS 1007884-60-7
Monodes(N-carboxymethyl)valine Daclatasvir
CAS 1007884-60-7C33H39N7O3
Daclatasvir impurity 5 chemical structure, C40H50N8O6, CAS 1009117-26-3
Daclatasvir impurity 5
CAS 1009117-26-3C40H50N8O6
Daclatasvir impurity 4 chemical structure, C40H50N8O6, CAS 1009107-27-0
Daclatasvir impurity 4
CAS 1009107-27-0C40H50N8O6
Daclatasvir impurity 38 chemical structure, C40H50N8O6, CAS 1009117-28-5
Daclatasvir impurity 38
CAS 1009117-28-5C40H50N8O6
Daclatasvir diethyl ester chemical structure, C42H54N8O6, CAS 1009113-58-9
Daclatasvir diethyl ester
CAS 1009113-58-9C42H54N8O6
Propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate chemical structure, C44H58N8O6, CAS 1009113-62-5
Propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CAS 1009113-62-5C44H58N8O6
tert-Butyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate chemical structure, C46H62N8O6, CAS 1009119-17-8
tert-Butyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate
CAS 1009119-17-8C46H62N8O6
DaclatasvirDiethylEster chemical structure, C42H54N8O6
DaclatasvirDiethylEster
C42H54N8O6