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Murcko scaffold

Ring system with 5 rings and 33 atoms

18 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
33
Chemicals
18
With full pages
1
Scaffold SMILES

O=c1c2ccccc2c(Cc2ccccc2)nn1C1CCCN(CCc2ccccc2)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 O=c1c2ccccc2c(Cc2ccccc2)nn1C1CCCN(CCc2ccccc2)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 18 of 18 chemicals

DE(fluoro) chloroflezelastine chemical structure, C29H30ClN3O, CAS 103541-68-0
DE(fluoro) chloroflezelastine
CAS 103541-68-0C29H30ClN3O
Flezelastine hydrochloride chemical structure, C29H31ClFN3O, CAS 110406-33-2
Flezelastine hydrochloride
CAS 110406-33-2C29H31ClFN3O
Flezelastine chemical structure, C29H30FN3O, CAS 135381-77-0
Flezelastine
CAS 135381-77-0C29H30FN3O
1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride chemical structure, C29H30Cl3N3O, CAS 110406-41-2
1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride
CAS 110406-41-2C29H30Cl3N3O
1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride chemical structure, C29H30Cl3N3O, CAS 110406-42-3
1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride
CAS 110406-42-3C29H30Cl3N3O
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) chemical structure, C29H30Cl2FN3O, CAS 110406-43-4
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
CAS 110406-43-4C29H30Cl2FN3O
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride chemical structure, C30H33Cl2N3O, CAS 110406-44-5
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
CAS 110406-44-5C30H33Cl2N3O
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(4-methoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride chemical structure, C30H33Cl2N3O2, CAS 110406-45-6
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(4-methoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
CAS 110406-45-6C30H33Cl2N3O2
1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride chemical structure, C29H30Cl2FN3O, CAS 110406-51-4
1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
CAS 110406-51-4C29H30Cl2FN3O
1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride chemical structure, C29H30Cl2FN3O, CAS 110406-52-5
1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
CAS 110406-52-5C29H30Cl2FN3O
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride chemical structure, C30H33ClFN3O, CAS 110406-53-6
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
CAS 110406-53-6C30H33ClFN3O
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride chemical structure, C30H33ClFN3O2, CAS 110406-54-7
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
CAS 110406-54-7C30H33ClFN3O2
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3,4,5-trimethoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride chemical structure, C32H37ClFN3O4, CAS 110406-55-8
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3,4,5-trimethoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
CAS 110406-55-8C32H37ClFN3O4
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride chemical structure, C30H30ClF4N3O, CAS 110406-83-2
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
CAS 110406-83-2C30H30ClF4N3O
1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride chemical structure, C29H30ClF2N3O, CAS 110425-24-6
1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
CAS 110425-24-6C29H30ClF2N3O
4-((4-(Chlorophenyl)methyl)-2-(hexahydro-1-(2-phenylethyl)-1H-azepin-4-yl)-1(2H)-phthalazinone hydrochloride chemical structure, C29H31Cl2N3O, CAS 103573-65-5
4-((4-(Chlorophenyl)methyl)-2-(hexahydro-1-(2-phenylethyl)-1H-azepin-4-yl)-1(2H)-phthalazinone hydrochloride
CAS 103573-65-5C29H31Cl2N3O
(-)-Flezelastine chemical structure, C29H30FN3O, CAS 153408-35-6
(-)-Flezelastine
CAS 153408-35-6C29H30FN3O
(+)-Flezelastine chemical structure, C29H30FN3O, CAS 153408-34-5
(+)-Flezelastine
CAS 153408-34-5C29H30FN3O