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Murcko scaffold

Ring system with 6 rings and 28 atoms

5 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
28
Chemicals
5
With full pages
3
Scaffold SMILES

c1ccc2c(c1)CCN1CCC(CC3NCCc4c3[nH]c3ccccc43)CC21

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)CCN1CCC(CC3NCCc4c3[nH]c3ccccc43)CC21

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 5 of 5 chemicals

(1R)-1-(((2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-6-ol chemical structure, C29H37N3O3, CAS 2632-29-3
(1R)-1-(((2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-6-ol
CAS 2632-29-3C29H37N3O3
Deoxytubulosine chemical structure, C29H37N3O2, CAS 2632-30-6
Deoxytubulosine
CAS 2632-30-6C29H37N3O2
(1'Beta)-10,11-dimethoxytubulosan-8'-ol chemical structure, C29H37N3O3, CAS 5610-39-9
(1'Beta)-10,11-dimethoxytubulosan-8'-ol
CAS 5610-39-9C29H37N3O3
O-Methyltubulosine chemical structure, C30H39N3O3, CAS 5263-31-0
O-Methyltubulosine
CAS 5263-31-0C30H39N3O3
(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(((1R)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)methyl)-2H-benzo(a)quinolizin-8-ol chemical structure, C29H37N3O3, CAS 13849-53-1
(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(((1R)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)methyl)-2H-benzo(a)quinolizin-8-ol
CAS 13849-53-1C29H37N3O3