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Murcko scaffold

Ring system with 6 rings and 29 atoms

25 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
29
Chemicals
25
With full pages
6
Scaffold SMILES

c1ccc(CNC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)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(CNC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)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 25 of 25 chemicals

CP 96345 chemical structure, C28H32N2O, CAS 132746-60-2
CP 96345
CAS 132746-60-2C28H32N2O
3-(2-Chlorobenzylamino)-2-benzhydrylquinuclidine chemical structure, C27H29ClN2, CAS 135007-72-6
3-(2-Chlorobenzylamino)-2-benzhydrylquinuclidine
CAS 135007-72-6C27H29ClN2
3-(2-Trifluoromethylbenzylamino)-2-benzhydrylquinuclidine chemical structure, C28H29F3N2, CAS 135330-43-7
3-(2-Trifluoromethylbenzylamino)-2-benzhydrylquinuclidine
CAS 135330-43-7C28H29F3N2
2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine chemical structure, C27H29IN2, CAS 144425-84-3
2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine
CAS 144425-84-3C27H29IN2
Ezlopitant chemical structure, C31H38N2O, CAS 147116-64-1
Ezlopitant
CAS 147116-64-1C31H38N2O
Maropitant citrate chemical structure, C38H50N2O9, CAS 359875-09-5
Maropitant citrate
CAS 359875-09-5C38H50N2O9
Maropitant chemical structure, C32H40N2O, CAS 147116-67-4
Maropitant
CAS 147116-67-4C32H40N2O
Ezlopitant dihydrochloride chemical structure, C31H40Cl2N2O, CAS 223389-63-7
Ezlopitant dihydrochloride
CAS 223389-63-7C31H40Cl2N2O
Ezlopitant metabolite M16 chemical structure, C31H38N2O2, CAS 161011-07-0
Ezlopitant metabolite M16
CAS 161011-07-0C31H38N2O2
Ezlopitant metabolite M12 chemical structure, C31H38N2O3, CAS 368454-88-0
Ezlopitant metabolite M12
CAS 368454-88-0C31H38N2O3
Ezlopitant metabolite M17 chemical structure, C31H36N2O, CAS 156749-85-8
Ezlopitant metabolite M17
CAS 156749-85-8C31H36N2O
(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzyl-amine chemical structure, C27H30N2, CAS 155681-48-4
(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzyl-amine
CAS 155681-48-4C27H30N2
Maropitant citrate anhydrous chemical structure, C38H48N2O8, CAS 862543-54-2
Maropitant citrate anhydrous
CAS 862543-54-2C38H48N2O8
L-703,606 Oxalate salt hydrate chemical structure, C29H31IN2O4, CAS 351351-06-9
L-703,606 Oxalate salt hydrate
CAS 351351-06-9C29H31IN2O4
Benzyl-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine chemical structure, C27H30N2, CAS 135007-71-5
Benzyl-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine
CAS 135007-71-5C27H30N2
(2S,3S)-2-(Diphenylmethyl)-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine chemical structure, C30H36N2O, CAS 147116-65-2
(2S,3S)-2-(Diphenylmethyl)-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CAS 147116-65-2C30H36N2O
CJ-12255 chemical structure, C32H38N2O3, CAS 146725-78-2
CJ-12255
CAS 146725-78-2C32H38N2O3
(2R,3R)-2-Benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine chemical structure, C31H38N2O, CAS 187281-35-2
(2R,3R)-2-Benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CAS 187281-35-2C31H38N2O
Ezlopitant dihydrate dihydrochloride chemical structure, C31H44Cl2N2O3, CAS 312968-98-2
Ezlopitant dihydrate dihydrochloride
CAS 312968-98-2C31H44Cl2N2O3
Maropitant impurity 11 chemical structure, C32H40N2O, CAS 2243127-12-8
Maropitant impurity 11
CAS 2243127-12-8C32H40N2O
Ezlopitant metabolite M7c chemical structure, C30H36N2O2, CAS 1810050-89-5
Ezlopitant metabolite M7c
CAS 1810050-89-5C30H36N2O2
Ezlopitant metabolite M14 chemical structure, C31H36N2O3, CAS 1817856-18-0
Ezlopitant metabolite M14
CAS 1817856-18-0C31H36N2O3
Ezlopitant metabolite M7a chemical structure, C30H36N2O3, CAS 1817856-19-1
Ezlopitant metabolite M7a
CAS 1817856-19-1C30H36N2O3
Maropitant impurity 2 chemical structure, C37H46N2O4S, CAS 862543-55-3
Maropitant impurity 2
CAS 862543-55-3C37H46N2O4S