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Murcko scaffold

Ring system with 3 rings and 21 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
6
With full pages
3
Scaffold SMILES

c1ccc(-c2ccc(OCCCN3CCCC3)cc2)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(-c2ccc(OCCCN3CCCC3)cc2)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 6 of 6 chemicals

4'-(3-((3R)-3-(Dimethylamino)pyrrolidinyl)propoxy)(1,1'-biphenyl)-4-carbonitrile chemical structure, C22H27N3O, CAS 392338-13-5
4'-(3-((3R)-3-(Dimethylamino)pyrrolidinyl)propoxy)(1,1'-biphenyl)-4-carbonitrile
CAS 392338-13-5C22H27N3O
(1,1'-Biphenyl)-4-carbonitrile, 4'-(3-((3R)-3-(dimethylamino)-1-pyrrolidinyl)propoxy)-3'-fluoro- chemical structure, C22H26FN3O, CAS 461045-07-8
(1,1'-Biphenyl)-4-carbonitrile, 4'-(3-((3R)-3-(dimethylamino)-1-pyrrolidinyl)propoxy)-3'-fluoro-
CAS 461045-07-8C22H26FN3O
4'-(3-((3R)-3-(Dimethylamino)-1-pyrrolidinyl)propoxy)-3',5'-difluoro(1,1'-biphenyl)-4-carbonitrile chemical structure, C22H25F2N3O, CAS 461045-17-0
4'-(3-((3R)-3-(Dimethylamino)-1-pyrrolidinyl)propoxy)-3',5'-difluoro(1,1'-biphenyl)-4-carbonitrile
CAS 461045-17-0C22H25F2N3O
A 331440 dihydrochloride chemical structure, C22H29Cl2N3O, CAS 1049740-32-0
A 331440 dihydrochloride
CAS 1049740-32-0C22H29Cl2N3O
4'-[3-(Pyrrolidin-1-yl)propoxy]-[1,1'-biphenyl]-4-carbonitrile chemical structure, C20H22N2O, CAS 517875-01-3
4'-[3-(Pyrrolidin-1-yl)propoxy]-[1,1'-biphenyl]-4-carbonitrile
CAS 517875-01-3C20H22N2O
7V2TE8Xvv6 chemical structure, C22H25F2N3O, CAS 568590-38-5
7V2TE8Xvv6
CAS 568590-38-5C22H25F2N3O