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Murcko scaffold

Ring system with 4 rings and 17 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
17
Chemicals
10
With full pages
3
Scaffold SMILES

c1ccc2c(c1)nc1cc3c(cn12)CCCC3

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)nc1cc3c(cn12)CCCC3

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 10 of 10 chemicals

11-Chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile chemical structure, C16H12ClN3, CAS 163080-53-3
11-Chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
CAS 163080-53-3C16H12ClN3
11-{[2-(Dimethylamino)ethyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile chemical structure, C20H23N5, CAS 612523-19-0
11-{[2-(Dimethylamino)ethyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
CAS 612523-19-0C20H23N5
11-(2-Methoxyethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile chemical structure, C19H20N4O, CAS 612523-20-3
11-(2-Methoxyethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CAS 612523-20-3C19H20N4O
11-[3-(Dimethylamino)propylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile chemical structure, C21H25N5, CAS 459191-21-0
11-[3-(Dimethylamino)propylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CAS 459191-21-0C21H25N5
11-(Butylamino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile chemical structure, C20H22N4, CAS 849011-64-9
11-(Butylamino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
CAS 849011-64-9C20H22N4
11-(Propan-2-ylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile chemical structure, C19H20N4, CAS 849825-99-6
11-(Propan-2-ylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CAS 849825-99-6C19H20N4
9-(Propylamino)-10,17-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),2,8,11(16),12,14-hexaene-2-carbonitrile chemical structure, C19H20N4, CAS 848988-97-6
9-(Propylamino)-10,17-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),2,8,11(16),12,14-hexaene-2-carbonitrile
CAS 848988-97-6C19H20N4
9-[(Butan-2-yl)amino]-10,17-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),2,8,11(16),12,14-hexaene-2-carbonitrile chemical structure, C20H22N4, CAS 861115-24-4
9-[(Butan-2-yl)amino]-10,17-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),2,8,11(16),12,14-hexaene-2-carbonitrile
CAS 861115-24-4C20H22N4
11-[2-(2-Hydroxyethoxy)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile chemical structure, C20H22N4O2, CAS 612523-24-7
11-[2-(2-Hydroxyethoxy)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CAS 612523-24-7C20H22N4O2
11-(2-Methylpropylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile chemical structure, C20H22N4, CAS 849030-20-2
11-(2-Methylpropylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CAS 849030-20-2C20H22N4