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Murcko scaffold

Ring system with 3 rings and 13 atoms

43 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
13
Chemicals
43
With full pages
21
Scaffold SMILES

c1ccc2c(c1)[nH]c1cncnc12

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 c1ccc2c(c1)[nH]c1cncnc12

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 43 of 43 chemicals

4-Ethoxy-5H-pyrimido[5,4-b]indole chemical structure, C12H11N3O, CAS 132994-27-5
4-Ethoxy-5H-pyrimido[5,4-b]indole
CAS 132994-27-5C12H11N3O
4-Methoxy-5H-pyrimido[5,4-b]indole chemical structure, C11H9N3O, CAS 98792-05-3
4-Methoxy-5H-pyrimido[5,4-b]indole
CAS 98792-05-3C11H9N3O
4-Ethoxy-8-fluoro-5H-pyrimido[5,4-b]indole chemical structure, C12H10FN3O, CAS 331444-00-9
4-Ethoxy-8-fluoro-5H-pyrimido[5,4-b]indole
CAS 331444-00-9C12H10FN3O
4,8-Dimethoxy-5H-pyrimido[5,4-b]indole chemical structure, C12H11N3O2, CAS 98792-06-4
4,8-Dimethoxy-5H-pyrimido[5,4-b]indole
CAS 98792-06-4C12H11N3O2
4-Hydrazinyl-5H-pyrimido(5,4-b)indole chemical structure, C10H9N5, CAS 107401-01-4
4-Hydrazinyl-5H-pyrimido(5,4-b)indole
CAS 107401-01-4C10H9N5
N-(8-Ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine chemical structure, C18H25N5O, CAS 846584-08-5
N-(8-Ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
CAS 846584-08-5C18H25N5O
8-Ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine chemical structure, C16H20N4O, CAS 846586-11-6
8-Ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
CAS 846586-11-6C16H20N4O
8-Ethoxy-N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine chemical structure, C17H22N4O, CAS 848222-95-7
8-Ethoxy-N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
CAS 848222-95-7C17H22N4O
N-Methyl-5H-pyrimido[5,4-b]indol-4-amine chemical structure, C11H10N4, CAS 338419-65-1
N-Methyl-5H-pyrimido[5,4-b]indol-4-amine
CAS 338419-65-1C11H10N4
Methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate chemical structure, C13H11N3O2S, CAS 338419-82-2
Methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate
CAS 338419-82-2C13H11N3O2S
N-(Propan-2-ylideneamino)-5H-pyrimido[5,4-b]indol-4-amine chemical structure, C13H13N5, CAS 107401-04-7
N-(Propan-2-ylideneamino)-5H-pyrimido[5,4-b]indol-4-amine
CAS 107401-04-7C13H13N5
8-Ethoxy-N-(3-methoxypropyl)-5H-pyrimido[5,4-b]indol-4-amine chemical structure, C16H20N4O2, CAS 847336-64-5
8-Ethoxy-N-(3-methoxypropyl)-5H-pyrimido[5,4-b]indol-4-amine
CAS 847336-64-5C16H20N4O2
N-Butyl-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine chemical structure, C15H18N4O, CAS 331444-03-2
N-Butyl-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
CAS 331444-03-2C15H18N4O
8-Methyl-4-propoxy-5H-pyrimido[5,4-b]indole chemical structure, C14H15N3O, CAS 844857-92-7
8-Methyl-4-propoxy-5H-pyrimido[5,4-b]indole
CAS 844857-92-7C14H15N3O
3-(5H-Pyrimido[5,4-b]indol-4-ylamino)propan-1-ol chemical structure, C13H14N4O, CAS 845805-50-7
3-(5H-Pyrimido[5,4-b]indol-4-ylamino)propan-1-ol
CAS 845805-50-7C13H14N4O
8-Methoxy-4-propoxy-5H-pyrimido[5,4-b]indole chemical structure, C14H15N3O2, CAS 846027-49-4
8-Methoxy-4-propoxy-5H-pyrimido[5,4-b]indole
CAS 846027-49-4C14H15N3O2
8-Methoxy-N-(3-propan-2-yloxypropyl)-5H-pyrimido[5,4-b]indol-4-amine chemical structure, C17H22N4O2, CAS 845904-03-2
8-Methoxy-N-(3-propan-2-yloxypropyl)-5H-pyrimido[5,4-b]indol-4-amine
CAS 845904-03-2C17H22N4O2
4-Propan-2-yloxy-5H-pyrimido[5,4-b]indole chemical structure, C13H13N3O, CAS 849032-94-6
4-Propan-2-yloxy-5H-pyrimido[5,4-b]indole
CAS 849032-94-6C13H13N3O
N-Heptyl-5-methylpyrimido[5,4-b]indol-4-amine chemical structure, C18H24N4, CAS 877783-48-7
N-Heptyl-5-methylpyrimido[5,4-b]indol-4-amine
CAS 877783-48-7C18H24N4
N-(2-Methoxyethyl)-5H-pyrimido[5,4-b]indol-4-amine chemical structure, C13H14N4O, CAS 847377-11-1
N-(2-Methoxyethyl)-5H-pyrimido[5,4-b]indol-4-amine
CAS 847377-11-1C13H14N4O
4-Butoxy-8-methyl-5H-pyrimido[5,4-b]indole chemical structure, C15H17N3O, CAS 848688-65-3
4-Butoxy-8-methyl-5H-pyrimido[5,4-b]indole
CAS 848688-65-3C15H17N3O
5-Methyl-N-pentylpyrimido[5,4-b]indol-4-amine chemical structure, C16H20N4, CAS 862210-25-1
5-Methyl-N-pentylpyrimido[5,4-b]indol-4-amine
CAS 862210-25-1C16H20N4
4-Chloro-8-methoxy-5H-pyrimido[5,4-b]indole chemical structure, C11H8ClN3O, CAS 98792-03-1
4-Chloro-8-methoxy-5H-pyrimido[5,4-b]indole
CAS 98792-03-1C11H8ClN3O
4-Chloro-8-methyl-5H-pyrimido(5,4-b)indole chemical structure, C11H8ClN3, CAS 331443-97-1
4-Chloro-8-methyl-5H-pyrimido(5,4-b)indole
CAS 331443-97-1C11H8ClN3