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Murcko scaffold

Ring system with 4 rings and 18 atoms

11 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
11
With full pages
10
Scaffold SMILES

c1ccc(-c2cnn3cc4c(nc23)CCC4)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 c1ccc(-c2cnn3cc4c(nc23)CCC4)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 11 of 11 chemicals

2-Methyl-3-phenyl-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine chemical structure, C17H14F3N3, CAS 428834-02-0
2-Methyl-3-phenyl-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
CAS 428834-02-0C17H14F3N3
N-Isopropyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine chemical structure, C19H22N4, CAS 896838-49-6
N-Isopropyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CAS 896838-49-6C19H22N4
N-[2-(Dimethylamino)ethyl]-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.0^{3,7}]dodeca-2,7,9,11-tetraen-2-amine chemical structure, C20H25N5, CAS 896843-21-3
N-[2-(Dimethylamino)ethyl]-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.0^{3,7}]dodeca-2,7,9,11-tetraen-2-amine
CAS 896843-21-3C20H25N5
N-Isobutyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine chemical structure, C20H24N4, CAS 896851-82-4
N-Isobutyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CAS 896851-82-4C20H24N4
N-Butyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine chemical structure, C20H24N4, CAS 899390-39-7
N-Butyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CAS 899390-39-7C20H24N4
2-(2-((2-Methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-yl)amino)ethoxy)ethanol chemical structure, C20H24N4O2, CAS 899394-29-7
2-(2-((2-Methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-yl)amino)ethoxy)ethanol
CAS 899394-29-7C20H24N4O2
N,N-Dimethyl-N'-(2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-yl)propane-1,3-diamine chemical structure, C21H27N5, CAS 900276-03-1
N,N-Dimethyl-N'-(2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-yl)propane-1,3-diamine
CAS 900276-03-1C21H27N5
N-(2-Methoxyethyl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine chemical structure, C19H22N4O, CAS 900283-10-5
N-(2-Methoxyethyl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CAS 900283-10-5C19H22N4O
2-Methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine chemical structure, C16H16N4, CAS 878417-33-5
2-Methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CAS 878417-33-5C16H16N4
N-(Butan-2-yl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.0^{3,7}]dodeca-2,7,9,11-tetraen-2-amine chemical structure, C20H24N4, CAS 896600-56-9
N-(Butan-2-yl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.0^{3,7}]dodeca-2,7,9,11-tetraen-2-amine
CAS 896600-56-9C20H24N4
5H-Cyclopenta(d)pyrazolo(1,5-a)pyrimidin-8-amine, 3-(2-chloro-4-methoxyphenyl)-N-(1-ethylpropyl)-6,7-dihydro-2-methyl- chemical structure, C22H27ClN4O, CAS 441060-02-2
5H-Cyclopenta(d)pyrazolo(1,5-a)pyrimidin-8-amine, 3-(2-chloro-4-methoxyphenyl)-N-(1-ethylpropyl)-6,7-dihydro-2-methyl-
CAS 441060-02-2C22H27ClN4O