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Murcko scaffold

Ring system with 3 rings and 22 atoms

23 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
23
With full pages
4
Scaffold SMILES

S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)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 S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)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 23 of 23 chemicals

4-Benzyl-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide chemical structure, C21H26N2S, CAS 664969-21-5
4-Benzyl-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide
CAS 664969-21-5C21H26N2S
4-Benzyl-N-(2,4-dimethylphenyl)piperidine-1-carbothioamide chemical structure, C21H26N2S, CAS 437635-88-6
4-Benzyl-N-(2,4-dimethylphenyl)piperidine-1-carbothioamide
CAS 437635-88-6C21H26N2S
4-Benzyl-N-(4-fluorophenyl)piperidine-1-carbothioamide chemical structure, C19H21FN2S, CAS 436118-48-8
4-Benzyl-N-(4-fluorophenyl)piperidine-1-carbothioamide
CAS 436118-48-8C19H21FN2S
4-Benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide chemical structure, C21H26N2S, CAS 664969-20-4
4-Benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide
CAS 664969-20-4C21H26N2S
4-Benzyl-N-(2-methoxyphenyl)piperidine-1-carbothioamide chemical structure, C20H24N2OS, CAS 474272-50-9
4-Benzyl-N-(2-methoxyphenyl)piperidine-1-carbothioamide
CAS 474272-50-9C20H24N2OS
4-Benzyl-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide chemical structure, C21H26N2S, CAS 708292-94-8
4-Benzyl-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide
CAS 708292-94-8C21H26N2S
4-Benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide chemical structure, C21H25ClN2O2S, CAS 664968-60-9
4-Benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide
CAS 664968-60-9C21H25ClN2O2S
Ethyl 4-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate chemical structure, C22H26N2O2S, CAS 664969-22-6
Ethyl 4-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate
CAS 664969-22-6C22H26N2O2S
4-Benzyl-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide chemical structure, C21H26N2O2S, CAS 664969-23-7
4-Benzyl-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide
CAS 664969-23-7C21H26N2O2S
4-Benzyl-N-(2,5-dimethoxyphenyl)piperidine-1-carbothioamide chemical structure, C21H26N2O2S, CAS 664969-24-8
4-Benzyl-N-(2,5-dimethoxyphenyl)piperidine-1-carbothioamide
CAS 664969-24-8C21H26N2O2S
4-Benzyl-N-(4-sulfamoylphenyl)piperidine-1-carbothioamide chemical structure, C19H23N3O2S2, CAS 664969-28-2
4-Benzyl-N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CAS 664969-28-2C19H23N3O2S2
Methyl 2-[4-({[4-benzylpiperidyl]thioxomethyl}amino)phenyl]acetate chemical structure, C22H26N2O2S, CAS 516458-60-9
Methyl 2-[4-({[4-benzylpiperidyl]thioxomethyl}amino)phenyl]acetate
CAS 516458-60-9C22H26N2O2S
4-Benzyl-N-(3-chloro-4-fluorophenyl)piperidine-1-carbothioamide chemical structure, C19H20ClFN2S, CAS 708990-27-6
4-Benzyl-N-(3-chloro-4-fluorophenyl)piperidine-1-carbothioamide
CAS 708990-27-6C19H20ClFN2S
N-(4-Acetylphenyl)-4-benzylpiperidine-1-carbothioamide chemical structure, C21H24N2OS, CAS 474312-03-3
N-(4-Acetylphenyl)-4-benzylpiperidine-1-carbothioamide
CAS 474312-03-3C21H24N2OS
Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate chemical structure, C21H24N2O2S, CAS 865655-84-1
Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate
CAS 865655-84-1C21H24N2O2S
4-Benzyl-N-(4-ethoxyphenyl)piperidine-1-carbothioamide chemical structure, C21H26N2OS, CAS 587849-85-2
4-Benzyl-N-(4-ethoxyphenyl)piperidine-1-carbothioamide
CAS 587849-85-2C21H26N2OS
N-(3-Acetylphenyl)-4-benzylpiperidine-1-carbothioamide chemical structure, C21H24N2OS, CAS 701953-20-0
N-(3-Acetylphenyl)-4-benzylpiperidine-1-carbothioamide
CAS 701953-20-0C21H24N2OS
4-Benzyl-N-(5-chloro-2-methoxyphenyl)piperidine-1-carbothioamide chemical structure, C20H23ClN2OS, CAS 708231-47-4
4-Benzyl-N-(5-chloro-2-methoxyphenyl)piperidine-1-carbothioamide
CAS 708231-47-4C20H23ClN2OS
4-Benzyl-N-{4-[(difluoromethyl)sulfanyl]phenyl}piperidine-1-carbothioamide chemical structure, C20H22F2N2S2, CAS 723324-56-9
4-Benzyl-N-{4-[(difluoromethyl)sulfanyl]phenyl}piperidine-1-carbothioamide
CAS 723324-56-9C20H22F2N2S2
4-Benzyl-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide chemical structure, C20H23N3O3S, CAS 701965-90-4
4-Benzyl-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide
CAS 701965-90-4C20H23N3O3S
Methyl 4,5-dimethoxy-2-({[4-benzylpiperidyl]thioxomethyl}amino)benzoate chemical structure, C23H28N2O4S, CAS 831205-48-2
Methyl 4,5-dimethoxy-2-({[4-benzylpiperidyl]thioxomethyl}amino)benzoate
CAS 831205-48-2C23H28N2O4S
4-Benzyl-N-[4-(difluoromethoxy)phenyl]piperidine-1-carbothioamide chemical structure, C20H22F2N2OS, CAS 398996-25-3
4-Benzyl-N-[4-(difluoromethoxy)phenyl]piperidine-1-carbothioamide
CAS 398996-25-3C20H22F2N2OS
4-Benzyl-N-(4-(methylsulfonyl)phenyl)piperidine-1-carbothioamide chemical structure, C20H24N2O2S2, CAS 900135-83-3
4-Benzyl-N-(4-(methylsulfonyl)phenyl)piperidine-1-carbothioamide
CAS 900135-83-3C20H24N2O2S2