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Murcko scaffold

Ring system with 4 rings and 25 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
10
With full pages
3
Scaffold SMILES

c1ccc(C2NCCCC2NCc2cccc(-n3cnnn3)c2)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(C2NCCCC2NCc2cccc(-n3cnnn3)c2)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 10 of 10 chemicals

(2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine chemical structure, C20H26Cl2N6O, CAS 168398-02-5
(2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine
CAS 168398-02-5C20H26Cl2N6O
Vofopitant C-11 chemical structure, C21H23F3N6O, CAS 462127-34-0
Vofopitant C-11
CAS 462127-34-0C21H23F3N6O
(18F)Spa-RQ chemical structure, C21H22F4N6O, CAS 262598-99-2
(18F)Spa-RQ
CAS 262598-99-2C21H22F4N6O
Vofopitant dihydrochloride chemical structure, C21H25Cl2F3N6O, CAS 168266-51-1
Vofopitant dihydrochloride
CAS 168266-51-1C21H25Cl2F3N6O
Vofopitant chemical structure, C21H23F3N6O, CAS 168266-90-8
Vofopitant
CAS 168266-90-8C21H23F3N6O
(18F)Fe-spa-rq chemical structure, C22H24F4N6O, CAS 677000-30-5
(18F)Fe-spa-rq
CAS 677000-30-5C22H24F4N6O
Phenol, 2-[[(2-phenyl-3-piperidinyl)amino]methyl]-4-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-, (2S-cis)- chemical structure, C20H21F3N6O, CAS 180574-25-8
Phenol, 2-[[(2-phenyl-3-piperidinyl)amino]methyl]-4-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-, (2S-cis)-
CAS 180574-25-8C20H21F3N6O
Fesparq FE-spa-RQ chemical structure, C22H24F4N6O, CAS 677000-31-6
Fesparq FE-spa-RQ
CAS 677000-31-6C22H24F4N6O
Phenol, 2-[[(2-phenyl-3-piperidinyl)amino]methyl]-4-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-, dihydrochloride, (2S-cis)- chemical structure, C20H23Cl2F3N6O, CAS 262598-97-0
Phenol, 2-[[(2-phenyl-3-piperidinyl)amino]methyl]-4-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-, dihydrochloride, (2S-cis)-
CAS 262598-97-0C20H23Cl2F3N6O
3-Piperidinamine, N-[[2-methoxy-5-(1H-tetrazol-1-yl)phenyl]methyl]-2-phenyl-, hydrochloride (1:2), (2S,3S)- chemical structure, C20H25ClN6O
3-Piperidinamine, N-[[2-methoxy-5-(1H-tetrazol-1-yl)phenyl]methyl]-2-phenyl-, hydrochloride (1:2), (2S,3S)-
C20H25ClN6O