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Murcko scaffold

Ring system with 3 rings and 20 atoms

14 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
14
With full pages
5
Scaffold SMILES

c1ccc(CNC2CCCNC2c2ccccc2)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(CNC2CCCNC2c2ccccc2)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 14 of 14 chemicals

CP-99994 chemical structure, C19H24N2O, CAS 136982-36-0
CP-99994
CAS 136982-36-0C19H24N2O
CP-100263 chemical structure, C19H24N2O, CAS 872726-33-5
CP-100263
CAS 872726-33-5C19H24N2O
CP-122721 chemical structure, C20H23F3N2O2, CAS 145742-28-5
CP-122721
CAS 145742-28-5C20H23F3N2O2
(2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine chemical structure, C20H26N2O2, CAS 136982-42-8
(2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CAS 136982-42-8C20H26N2O2
rel-N-[4-Methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide chemical structure, C21H29N3O3S, CAS 182822-62-4
rel-N-[4-Methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide
CAS 182822-62-4C21H29N3O3S
N-[4-Methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N-methylmethanesulfonamide chemical structure, C21H29N3O3S, CAS 160503-02-6
N-[4-Methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N-methylmethanesulfonamide
CAS 160503-02-6C21H29N3O3S
CP 141938 monohydrochloride chemical structure, C21H30ClN3O3S
CP 141938 monohydrochloride
C21H30ClN3O3S
CP 141938 monohydrochloride chemical structure, C21H30ClN3O3S, CAS 160502-48-7
CP 141938 monohydrochloride
CAS 160502-48-7C21H30ClN3O3S
CP-122721 metabolite M8 chemical structure, C19H21F3N2O2, CAS 145742-29-6
CP-122721 metabolite M8
CAS 145742-29-6C19H21F3N2O2
N-[4-Methoxy-3-[[[(2R,3R)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide chemical structure, C21H29N3O3S
N-[4-Methoxy-3-[[[(2R,3R)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide
C21H29N3O3S
CP 99994 dihydrochloride chemical structure, C19H26Cl2N2O, CAS 145148-39-6
CP 99994 dihydrochloride
CAS 145148-39-6C19H26Cl2N2O
CP-100263 dihydrochloride hydrate chemical structure, C19H28Cl2N2O2, CAS 2411462-35-4
CP-100263 dihydrochloride hydrate
CAS 2411462-35-4C19H28Cl2N2O2
CP-122721 dihydrochloride chemical structure, C20H25Cl2F3N2O2, CAS 145877-52-7
CP-122721 dihydrochloride
CAS 145877-52-7C20H25Cl2F3N2O2
(2R,3R)-N-(2-Methoxybenzyl)-2-phenylpiperidin-3-amine dihydrochloride xhydrate chemical structure, C19H28Cl2N2O2
(2R,3R)-N-(2-Methoxybenzyl)-2-phenylpiperidin-3-amine dihydrochloride xhydrate
C19H28Cl2N2O2